5-chloro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]quinoline-8-carboxamide

C19H14ClN5O — CID 47089643

IUPAC5-chloro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]quinoline-8-carboxamide
SMILESO=C(Nc1ccn(Cc2ccccn2)n1)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C19H14ClN5O/c20-16-7-6-15(18-14(16)5-3-10-22-18)19(26)23-17-8-11-25(24-17)12-13-4-1-2-9-21-13/h1-11H,12H2,(H,23,24,26)
InChIKeyCGXQIOWSFSDTHE-UHFFFAOYSA-N
MW363.81 g/mol
LogP3.78
Rot. Bonds4

About 5-chloro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]quinoline-8-carboxamide

5-chloro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]quinoline-8-carboxamide (PubChem CID 47089643) has the molecular formula C19H14ClN5O and a molecular weight of 363.81 g/mol. Its IUPAC name is 5-chloro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]quinoline-8-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]quinoline-8-carboxamide
PubChem CID47089643
Molecular FormulaC19H14ClN5O
Molecular Weight363.81 g/mol
Exact Mass363.09
IUPAC Name5-chloro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]quinoline-8-carboxamide
SMILESO=C(Nc1ccn(Cc2ccccn2)n1)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C19H14ClN5O/c20-16-7-6-15(18-14(16)5-3-10-22-18)19(26)23-17-8-11-25(24-17)12-13-4-1-2-9-21-13/h1-11H,12H2,(H,23,24,26)
InChIKeyCGXQIOWSFSDTHE-UHFFFAOYSA-N
XLogP3.78
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]quinoline-8-carboxamide
CID 47089636
2,4-dichloro-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]benzamide
CID 49497172
N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-4-pyrrol-1-ylbenzamide
CID 51101543
2,2-dichloro-1-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 71881007
3-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]benzamide
CID 51101562
1-[3-chloro-2-(2-ethoxyethoxy)phenyl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
CID 86813204
4-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]butanamide
CID 51101514
N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 52817236
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]pyridine-2-carboxamide
CID 35537616
4-methoxy-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide
CID 161037055
5-chloro-N-[4-(2-hydroxyethyl)phenyl]quinoline-8-carboxamide
CID 110922888
(5S)-5-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 95273803

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]quinoline-8-carboxamide?
The IUPAC name of 5-chloro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]quinoline-8-carboxamide (CID 47089643) is 5-chloro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]quinoline-8-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]quinoline-8-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]quinoline-8-carboxamide is O=C(Nc1ccn(Cc2ccccn2)n1)c1ccc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]quinoline-8-carboxamide?
The InChIKey is CGXQIOWSFSDTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O/c20-16-7-6-15(18-14(16)5-3-10-22-18)19(26)23-17-8-11-25(24-17)12-13-4-1-2-9-21-13/h1-11H,12H2,(H,23,24,26).
What are the key properties of 5-chloro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]quinoline-8-carboxamide?
5-chloro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]quinoline-8-carboxamide has a molecular weight of 363.81 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]quinoline-8-carboxamide is sourced from PubChem (CID 47089643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).