1-(7-chloroquinolin-4-yl)-5-(2-methoxyphenyl)pyrazole-3-carboxamide

C20H15ClN4O2 — CID 118395954

IUPAC1-(7-chloroquinolin-4-yl)-5-(2-methoxyphenyl)pyrazole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(N)=O)nn1-c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C20H15ClN4O2/c1-27-19-5-3-2-4-14(19)18-11-16(20(22)26)24-25(18)17-8-9-23-15-10-12(21)6-7-13(15)17/h2-11H,1H3,(H2,22,26)
InChIKeySHJXLGHEBRGZIK-UHFFFAOYSA-N
MW378.82 g/mol
LogP3.85
Rot. Bonds4

About 1-(7-chloroquinolin-4-yl)-5-(2-methoxyphenyl)pyrazole-3-carboxamide

1-(7-chloroquinolin-4-yl)-5-(2-methoxyphenyl)pyrazole-3-carboxamide (PubChem CID 118395954) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is 1-(7-chloroquinolin-4-yl)-5-(2-methoxyphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(7-chloroquinolin-4-yl)-5-(2-methoxyphenyl)pyrazole-3-carboxamide
PubChem CID118395954
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC Name1-(7-chloroquinolin-4-yl)-5-(2-methoxyphenyl)pyrazole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(N)=O)nn1-c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C20H15ClN4O2/c1-27-19-5-3-2-4-14(19)18-11-16(20(22)26)24-25(18)17-8-9-23-15-10-12(21)6-7-13(15)17/h2-11H,1H3,(H2,22,26)
InChIKeySHJXLGHEBRGZIK-UHFFFAOYSA-N
XLogP3.85
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylate
CID 66781547
1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxyphenyl)-N-[(1E)-1-hydrazinylidene-1-(2-methylhydrazinyl)propan-2-yl]pyrazole-3-carboxamide
CID 123773818
methyl 1-[[1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]cycloheptane-1-carboxylate
CID 118395854
1-(2-chlorophenyl)-5-(2-methoxyphenyl)pyrazole-3-carboxylic acid
CID 82220353
1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxyphenyl)-N-[(1S)-3-methyl-1-(2H-tetrazol-5-yl)butyl]pyrazole-3-carboxamide
CID 54755426
[1-(5-chloro-2-methylphenyl)-5-(2-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82072567
1-[5-(2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone
CID 82128496
methyl 5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 62267837
1-(7-chloroquinolin-4-yl)-N-[(4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 162624532
2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-oxoacetamide
CID 46227121
1-(2-amino-1,3-dioxobenzo[de]isoquinolin-6-yl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid
CID 23364597
N-(2,6-difluorophenyl)-5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 90271579

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloroquinolin-4-yl)-5-(2-methoxyphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(7-chloroquinolin-4-yl)-5-(2-methoxyphenyl)pyrazole-3-carboxamide (CID 118395954) is 1-(7-chloroquinolin-4-yl)-5-(2-methoxyphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(7-chloroquinolin-4-yl)-5-(2-methoxyphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(7-chloroquinolin-4-yl)-5-(2-methoxyphenyl)pyrazole-3-carboxamide is COc1ccccc1-c1cc(C(N)=O)nn1-c1ccnc2cc(Cl)ccc12.
What is the InChIKey of 1-(7-chloroquinolin-4-yl)-5-(2-methoxyphenyl)pyrazole-3-carboxamide?
The InChIKey is SHJXLGHEBRGZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c1-27-19-5-3-2-4-14(19)18-11-16(20(22)26)24-25(18)17-8-9-23-15-10-12(21)6-7-13(15)17/h2-11H,1H3,(H2,22,26).
What are the key properties of 1-(7-chloroquinolin-4-yl)-5-(2-methoxyphenyl)pyrazole-3-carboxamide?
1-(7-chloroquinolin-4-yl)-5-(2-methoxyphenyl)pyrazole-3-carboxamide has a molecular weight of 378.82 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloroquinolin-4-yl)-5-(2-methoxyphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 118395954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).