N,N,1,3-tetramethyl-4-[[[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]pyrazol-5-amine

C18H25N7 — CID 95142460

IUPACN,N,1,3-tetramethyl-4-[[[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]pyrazol-5-amine
SMILESCc1nn(C)c(N(C)C)c1CN[C@@H](C)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C18H25N7/c1-13(15-6-8-16(9-7-15)25-12-19-11-21-25)20-10-17-14(2)22-24(5)18(17)23(3)4/h6-9,11-13,20H,10H2,1-5H3/t13-/m0/s1
InChIKeyCWYOHBBVZQAYFO-ZDUSSCGKSA-N
MW339.45 g/mol
LogP2.23
Rot. Bonds6

About N,N,1,3-tetramethyl-4-[[[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]pyrazol-5-amine

N,N,1,3-tetramethyl-4-[[[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]pyrazol-5-amine (PubChem CID 95142460) has the molecular formula C18H25N7 and a molecular weight of 339.45 g/mol. Its IUPAC name is N,N,1,3-tetramethyl-4-[[[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]pyrazol-5-amine.

Molecular Properties

Compound NameN,N,1,3-tetramethyl-4-[[[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]pyrazol-5-amine
PubChem CID95142460
Molecular FormulaC18H25N7
Molecular Weight339.45 g/mol
Exact Mass339.22
IUPAC NameN,N,1,3-tetramethyl-4-[[[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]pyrazol-5-amine
SMILESCc1nn(C)c(N(C)C)c1CN[C@@H](C)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C18H25N7/c1-13(15-6-8-16(9-7-15)25-12-19-11-21-25)20-10-17-14(2)22-24(5)18(17)23(3)4/h6-9,11-13,20H,10H2,1-5H3/t13-/m0/s1
InChIKeyCWYOHBBVZQAYFO-ZDUSSCGKSA-N
XLogP2.23
TPSA63.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(1R)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
CID 94813974
N,N,1,3-tetramethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine
CID 43281251
N,N,1,3-tetramethyl-4-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]pyrazol-5-amine
CID 95139826
4-[[[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 94822156
(1S)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
CID 94193136
N-[(2-methoxyphenyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
CID 60590081
6-[(1S)-1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 94822379
N-[(2,5-dimethoxyphenyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
CID 60590010
4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 51105389
6-[1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 51131286
4-[[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 94824212
N,N,1,3-tetramethyl-4-[[2-(1,2,4-triazol-1-yl)ethylamino]methyl]pyrazol-5-amine;hydrochloride
CID 51105352

Frequently Asked Questions

What is the IUPAC name of N,N,1,3-tetramethyl-4-[[[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]pyrazol-5-amine?
The IUPAC name of N,N,1,3-tetramethyl-4-[[[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]pyrazol-5-amine (CID 95142460) is N,N,1,3-tetramethyl-4-[[[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]pyrazol-5-amine.
What is the SMILES notation for N,N,1,3-tetramethyl-4-[[[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]pyrazol-5-amine?
The canonical SMILES for N,N,1,3-tetramethyl-4-[[[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]pyrazol-5-amine is Cc1nn(C)c(N(C)C)c1CN[C@@H](C)c1ccc(-n2cncn2)cc1.
What is the InChIKey of N,N,1,3-tetramethyl-4-[[[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]pyrazol-5-amine?
The InChIKey is CWYOHBBVZQAYFO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25N7/c1-13(15-6-8-16(9-7-15)25-12-19-11-21-25)20-10-17-14(2)22-24(5)18(17)23(3)4/h6-9,11-13,20H,10H2,1-5H3/t13-/m0/s1.
What are the key properties of N,N,1,3-tetramethyl-4-[[[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]pyrazol-5-amine?
N,N,1,3-tetramethyl-4-[[[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]pyrazol-5-amine has a molecular weight of 339.45 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,3-tetramethyl-4-[[[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]pyrazol-5-amine is sourced from PubChem (CID 95142460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).