N-[[4-[3-chloro-2-methyl-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine

C19H25ClF3N3O — CID 144721901

IUPACN-[[4-[3-chloro-2-methyl-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine
SMILESCCCN(C)Cc1[nH]ncc1-c1cc(C(F)(F)F)c(OC(C)C)c(Cl)c1C
InChIInChI=1S/C19H25ClF3N3O/c1-6-7-26(5)10-16-14(9-24-25-16)13-8-15(19(21,22)23)18(27-11(2)3)17(20)12(13)4/h8-9,11H,6-7,10H2,1-5H3,(H,24,25)
InChIKeyCJSOSBUXGGUVJZ-UHFFFAOYSA-N
MW403.88 g/mol
LogP5.69
Rot. Bonds7

About N-[[4-[3-chloro-2-methyl-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine

N-[[4-[3-chloro-2-methyl-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine (PubChem CID 144721901) has the molecular formula C19H25ClF3N3O and a molecular weight of 403.88 g/mol. Its IUPAC name is N-[[4-[3-chloro-2-methyl-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-[3-chloro-2-methyl-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine
PubChem CID144721901
Molecular FormulaC19H25ClF3N3O
Molecular Weight403.88 g/mol
Exact Mass403.16
IUPAC NameN-[[4-[3-chloro-2-methyl-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine
SMILESCCCN(C)Cc1[nH]ncc1-c1cc(C(F)(F)F)c(OC(C)C)c(Cl)c1C
InChIInChI=1S/C19H25ClF3N3O/c1-6-7-26(5)10-16-14(9-24-25-16)13-8-15(19(21,22)23)18(27-11(2)3)17(20)12(13)4/h8-9,11H,6-7,10H2,1-5H3,(H,24,25)
InChIKeyCJSOSBUXGGUVJZ-UHFFFAOYSA-N
XLogP5.69
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.88
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[[4-[3-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N'-methylethane-1,2-diamine
CID 122180641
N-[[4-(3,5-dichloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine
CID 144741643
N-methyl-N-[[5-[2-methyl-4-phenoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 129303430
N-[[4-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine
CID 158321152
2-[5-[[butyl(methyl)amino]methyl]-1H-pyrazol-4-yl]-3-fluoro-4-(3-methoxypropoxy)-6-(trifluoromethyl)benzonitrile;N-[[4-[2-chloro-3-(1,1-difluoroethyl)-5-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-[[4-[2-fluoro-4-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine;N-methyl-N-[[4-[2-methyl-3-(2-methylpropoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]butan-1-amine
CID 162015935
5-bromo-1-chloro-2-propan-2-yloxy-3-(trifluoromethyl)benzene
CID 164895327
N'-[[5-[2-chloro-4-propoxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 85472893
2-[4-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-2-fluoro-6-(trifluoromethyl)phenoxy]butan-1-ol
CID 159214851
N-methyl-N-[(5-propan-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 121442678
N-methyl-N-[[5-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 157186184
N-[[5-[4-chloro-3-(1,1-difluoroethyl)-5-(3-methylbutoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
CID 162125475
4-[[methyl(propyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81117342

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-chloro-2-methyl-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine?
The IUPAC name of N-[[4-[3-chloro-2-methyl-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine (CID 144721901) is N-[[4-[3-chloro-2-methyl-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine.
What is the SMILES notation for N-[[4-[3-chloro-2-methyl-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine?
The canonical SMILES for N-[[4-[3-chloro-2-methyl-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine is CCCN(C)Cc1[nH]ncc1-c1cc(C(F)(F)F)c(OC(C)C)c(Cl)c1C.
What is the InChIKey of N-[[4-[3-chloro-2-methyl-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine?
The InChIKey is CJSOSBUXGGUVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClF3N3O/c1-6-7-26(5)10-16-14(9-24-25-16)13-8-15(19(21,22)23)18(27-11(2)3)17(20)12(13)4/h8-9,11H,6-7,10H2,1-5H3,(H,24,25).
What are the key properties of N-[[4-[3-chloro-2-methyl-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine?
N-[[4-[3-chloro-2-methyl-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine has a molecular weight of 403.88 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-chloro-2-methyl-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 144721901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).