N,1-dimethyl-3-propan-2-yl-N-(quinolin-5-ylmethyl)pyrazole-5-carboxamide

C19H22N4O — CID 46964857

IUPACN,1-dimethyl-3-propan-2-yl-N-(quinolin-5-ylmethyl)pyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)N(C)Cc2cccc3ncccc23)n(C)n1
InChIInChI=1S/C19H22N4O/c1-13(2)17-11-18(23(4)21-17)19(24)22(3)12-14-7-5-9-16-15(14)8-6-10-20-16/h5-11,13H,12H2,1-4H3
InChIKeyFDFJNMKXBUSNMO-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.36
Rot. Bonds4

About N,1-dimethyl-3-propan-2-yl-N-(quinolin-5-ylmethyl)pyrazole-5-carboxamide

N,1-dimethyl-3-propan-2-yl-N-(quinolin-5-ylmethyl)pyrazole-5-carboxamide (PubChem CID 46964857) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N,1-dimethyl-3-propan-2-yl-N-(quinolin-5-ylmethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-3-propan-2-yl-N-(quinolin-5-ylmethyl)pyrazole-5-carboxamide
PubChem CID46964857
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN,1-dimethyl-3-propan-2-yl-N-(quinolin-5-ylmethyl)pyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)N(C)Cc2cccc3ncccc23)n(C)n1
InChIInChI=1S/C19H22N4O/c1-13(2)17-11-18(23(4)21-17)19(24)22(3)12-14-7-5-9-16-15(14)8-6-10-20-16/h5-11,13H,12H2,1-4H3
InChIKeyFDFJNMKXBUSNMO-UHFFFAOYSA-N
XLogP3.36
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Zoniporide
CID 6433110
Quinoline derivative 6
CID 89554734
4-(1-methylpyrazol-4-yl)-7-[[(2~{S})-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 117641885
1H-Indazole-3-carboxamide, 1-(1-methylethyl)-N-((1-(2-(2-pyridinyl)ethyl)-4-piperidinyl)methyl)-, monohydrochloride
CID 21252903
4-(2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carboxamide
CID 53316426
N-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 118660644
8-[4-(1-Methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 118660845
US10022354, Example 69
CID 121279703
5-(1~{h}-Indol-3-Ylmethyl)-1-Methyl-~{n}-(Naphthalen-1-Ylmethyl)-6,7-Dihydro-4~{h}-Pyrazolo[4,3-C]pyridine-3-Carboxamide
CID 118933302
N-(2-methylphenyl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 16193925
2-(3,4-dimethylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 995079
N-(5-Isoquinolinyl)-1-[3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 9908720

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-3-propan-2-yl-N-(quinolin-5-ylmethyl)pyrazole-5-carboxamide?
The IUPAC name of N,1-dimethyl-3-propan-2-yl-N-(quinolin-5-ylmethyl)pyrazole-5-carboxamide (CID 46964857) is N,1-dimethyl-3-propan-2-yl-N-(quinolin-5-ylmethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N,1-dimethyl-3-propan-2-yl-N-(quinolin-5-ylmethyl)pyrazole-5-carboxamide?
The canonical SMILES for N,1-dimethyl-3-propan-2-yl-N-(quinolin-5-ylmethyl)pyrazole-5-carboxamide is CC(C)c1cc(C(=O)N(C)Cc2cccc3ncccc23)n(C)n1.
What is the InChIKey of N,1-dimethyl-3-propan-2-yl-N-(quinolin-5-ylmethyl)pyrazole-5-carboxamide?
The InChIKey is FDFJNMKXBUSNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13(2)17-11-18(23(4)21-17)19(24)22(3)12-14-7-5-9-16-15(14)8-6-10-20-16/h5-11,13H,12H2,1-4H3.
What are the key properties of N,1-dimethyl-3-propan-2-yl-N-(quinolin-5-ylmethyl)pyrazole-5-carboxamide?
N,1-dimethyl-3-propan-2-yl-N-(quinolin-5-ylmethyl)pyrazole-5-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-3-propan-2-yl-N-(quinolin-5-ylmethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 46964857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).