N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[5-[cyclopropylmethyl(propyl)amino]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2H-tetrazol-5-amine

C23H25F9N8 — CID 24759322

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[5-[cyclopropylmethyl(propyl)amino]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2H-tetrazol-5-amine
SMILESCCCN(CC1CC1)c1c(CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nn[nH]n2)c(C(F)(F)F)nn1C
InChIInChI=1S/C23H25F9N8/c1-3-6-39(10-13-4-5-13)19-17(18(23(30,31)32)35-38(19)2)12-40(20-33-36-37-34-20)11-14-7-15(21(24,25)26)9-16(8-14)22(27,28)29/h7-9,13H,3-6,10-12H2,1-2H3,(H,33,34,36,37)
InChIKeyDAIVOCPGKOTMLP-UHFFFAOYSA-N
MW584.49 g/mol
LogP5.82
Rot. Bonds10

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[5-[cyclopropylmethyl(propyl)amino]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2H-tetrazol-5-amine

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[5-[cyclopropylmethyl(propyl)amino]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2H-tetrazol-5-amine (PubChem CID 24759322) has the molecular formula C23H25F9N8 and a molecular weight of 584.49 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[5-[cyclopropylmethyl(propyl)amino]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[5-[cyclopropylmethyl(propyl)amino]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2H-tetrazol-5-amine
PubChem CID24759322
Molecular FormulaC23H25F9N8
Molecular Weight584.49 g/mol
Exact Mass584.21
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[5-[cyclopropylmethyl(propyl)amino]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2H-tetrazol-5-amine
SMILESCCCN(CC1CC1)c1c(CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nn[nH]n2)c(C(F)(F)F)nn1C
InChIInChI=1S/C23H25F9N8/c1-3-6-39(10-13-4-5-13)19-17(18(23(30,31)32)35-38(19)2)12-40(20-33-36-37-34-20)11-14-7-15(21(24,25)26)9-16(8-14)22(27,28)29/h7-9,13H,3-6,10-12H2,1-2H3,(H,33,34,36,37)
InChIKeyDAIVOCPGKOTMLP-UHFFFAOYSA-N
XLogP5.82
TPSA78.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.49
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[5-[cyclopropylmethyl(propyl)amino]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2H-tetrazol-5-amine with MolForge

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Related Compounds

1-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[5-[cyclopropylmethyl(propyl)amino]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]amino]pyrimidin-5-yl]piperidine-4-carboxylic acid
CID 24759433
2-[4-[[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-propyl-4-(trifluoromethyl)anilino]methyl]cyclohexyl]acetic acid
CID 59658007
2-[4-[[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-5-methyl-N-propyl-4-(trifluoromethyl)anilino]methyl]cyclohexyl]acetic acid;hydrochloride
CID 87141463
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[4-[(dicyclopropylamino)methyl]quinolin-3-yl]methyl]-2H-tetrazol-5-amine
CID 87769782
[4-[[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-4-bromo-N-ethylanilino]methyl]cyclohexyl]methanol;hydrochloride
CID 46851610
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[cyclohexylmethyl(ethyl)amino]-5-(trifluoromethoxy)phenyl]methyl]-2-methyltetrazol-5-amine
CID 87792426
4-(aminomethyl)-N-(cyclopropylmethyl)-1,3-dimethyl-N-propylpyrazol-5-amine
CID 61445099
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[cyclohexylmethyl(ethyl)amino]-5-methyl-4-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine
CID 91369272
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[1-[cyclopropylmethyl(methyl)amino]propyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine
CID 58966394
ethyl 2-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-[cyclopropylmethyl(propyl)amino]quinolin-3-yl]methyl]amino]tetrazol-2-yl]-2-methylpropanoate
CID 86626460
2-[4-[[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-ethyl-4-methyl-5-(trifluoromethyl)anilino]methyl]cyclohexyl]acetic acid
CID 59658026
1-[4-[[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-ethyl-5-methyl-4-(trifluoromethyl)anilino]methyl]cyclohexyl]propan-2-one
CID 90148559

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[5-[cyclopropylmethyl(propyl)amino]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[5-[cyclopropylmethyl(propyl)amino]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2H-tetrazol-5-amine (CID 24759322) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[5-[cyclopropylmethyl(propyl)amino]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[5-[cyclopropylmethyl(propyl)amino]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[5-[cyclopropylmethyl(propyl)amino]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2H-tetrazol-5-amine is CCCN(CC1CC1)c1c(CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nn[nH]n2)c(C(F)(F)F)nn1C.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[5-[cyclopropylmethyl(propyl)amino]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2H-tetrazol-5-amine?
The InChIKey is DAIVOCPGKOTMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F9N8/c1-3-6-39(10-13-4-5-13)19-17(18(23(30,31)32)35-38(19)2)12-40(20-33-36-37-34-20)11-14-7-15(21(24,25)26)9-16(8-14)22(27,28)29/h7-9,13H,3-6,10-12H2,1-2H3,(H,33,34,36,37).
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[5-[cyclopropylmethyl(propyl)amino]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2H-tetrazol-5-amine?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[5-[cyclopropylmethyl(propyl)amino]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2H-tetrazol-5-amine has a molecular weight of 584.49 g/mol, XLogP of 5.82, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[5-[cyclopropylmethyl(propyl)amino]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 24759322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).