1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide

C15H13ClN4O — CID 135354589

IUPAC1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccc3ncc(Cl)cc3c2)cc1C(N)=O
InChIInChI=1S/C15H13ClN4O/c1-9-13(15(17)21)8-20(19-9)7-10-2-3-14-11(4-10)5-12(16)6-18-14/h2-6,8H,7H2,1H3,(H2,17,21)
InChIKeyWTCMWEWLRVCSAP-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.54
Rot. Bonds3

About 1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide

1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide (PubChem CID 135354589) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide
PubChem CID135354589
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccc3ncc(Cl)cc3c2)cc1C(N)=O
InChIInChI=1S/C15H13ClN4O/c1-9-13(15(17)21)8-20(19-9)7-10-2-3-14-11(4-10)5-12(16)6-18-14/h2-6,8H,7H2,1H3,(H2,17,21)
InChIKeyWTCMWEWLRVCSAP-UHFFFAOYSA-N
XLogP2.54
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

sodium;1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxylic acid;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxylate;hydroxide
CID 157262145
3-amino-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylic acid
CID 134177987
ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-(hydroxymethyl)pyrazole-4-carboxylate
CID 134178614
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide
CID 134178248
1-[(3-chloroquinolin-6-yl)methyl]-3-methoxypyrazole-4-carboxylic acid
CID 134178738
3-acetyl-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylic acid;ethane
CID 145440952
1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide
CID 135354693
methyl 2-[(3-chloroquinolin-6-yl)methyl]-5-methyltriazole-4-carboxylate
CID 134178625
1-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)pyrazole-3-carboxylic acid;ethane
CID 145441016
4-amino-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-3-carboxamide
CID 138658473
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide;tert-butyl N-[5-[[[1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carbonyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate
CID 159466945
1-[(7-chloroquinolin-3-yl)methyl]-3-methoxypyrazole-4-carboxamide
CID 174942690

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide?
The IUPAC name of 1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide (CID 135354589) is 1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide is Cc1nn(Cc2ccc3ncc(Cl)cc3c2)cc1C(N)=O.
What is the InChIKey of 1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide?
The InChIKey is WTCMWEWLRVCSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-9-13(15(17)21)8-20(19-9)7-10-2-3-14-11(4-10)5-12(16)6-18-14/h2-6,8H,7H2,1H3,(H2,17,21).
What are the key properties of 1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide?
1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide has a molecular weight of 300.75 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 135354589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).