1-[(3,4-dichlorophenyl)methyl]-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrazole-4-carboxamide

C19H17Cl2N5O — CID 42597438

IUPAC1-[(3,4-dichlorophenyl)methyl]-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc2c(n1)CCNC2)c1cnn(Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C19H17Cl2N5O/c20-15-3-1-12(7-16(15)21)10-26-11-14(9-23-26)19(27)25-18-4-2-13-8-22-6-5-17(13)24-18/h1-4,7,9,11,22H,5-6,8,10H2,(H,24,25,27)
InChIKeyFYTCFEBQZJOKQS-UHFFFAOYSA-N
MW402.29 g/mol
LogP3.53
Rot. Bonds4

About 1-[(3,4-dichlorophenyl)methyl]-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrazole-4-carboxamide

1-[(3,4-dichlorophenyl)methyl]-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrazole-4-carboxamide (PubChem CID 42597438) has the molecular formula C19H17Cl2N5O and a molecular weight of 402.29 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrazole-4-carboxamide
PubChem CID42597438
Molecular FormulaC19H17Cl2N5O
Molecular Weight402.29 g/mol
Exact Mass401.08
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc2c(n1)CCNC2)c1cnn(Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C19H17Cl2N5O/c20-15-3-1-12(7-16(15)21)10-26-11-14(9-23-26)19(27)25-18-4-2-13-8-22-6-5-17(13)24-18/h1-4,7,9,11,22H,5-6,8,10H2,(H,24,25,27)
InChIKeyFYTCFEBQZJOKQS-UHFFFAOYSA-N
XLogP3.53
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxamide
CID 25255840
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 24898379
N-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 59192332
1-(naphthalen-1-ylmethyl)-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrazole-4-carboxamide
CID 24898600
1-ethyl-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)pyrazole-4-carboxamide;hydrochloride
CID 86782037
1-benzyl-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazole-4-carboxamide
CID 46451156
bis(1-[(4-aminophenyl)methyl]-N-[(13R)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-4-yl]pyrazole-4-carboxamide);dihydrochloride
CID 158731702
methyl 6-[(1-benzylpyrazole-4-carbonyl)amino]pyridine-3-carboxylate
CID 156583770
2-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylcarbamoyl)-5-(trifluoromethyl)benzoic acid
CID 164606168
1-benzyl-N-(13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-4-yl)pyrazole-4-carboxamide
CID 145352880
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447160
3,4-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901337

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrazole-4-carboxamide (CID 42597438) is 1-[(3,4-dichlorophenyl)methyl]-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrazole-4-carboxamide is O=C(Nc1ccc2c(n1)CCNC2)c1cnn(Cc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrazole-4-carboxamide?
The InChIKey is FYTCFEBQZJOKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N5O/c20-15-3-1-12(7-16(15)21)10-26-11-14(9-23-26)19(27)25-18-4-2-13-8-22-6-5-17(13)24-18/h1-4,7,9,11,22H,5-6,8,10H2,(H,24,25,27).
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrazole-4-carboxamide?
1-[(3,4-dichlorophenyl)methyl]-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrazole-4-carboxamide has a molecular weight of 402.29 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 42597438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).