1-(quinolin-8-ylmethyl)pyrazole-3-carboxamide

C14H12N4O — CID 71259684

IUPAC1-(quinolin-8-ylmethyl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(Cc2cccc3cccnc23)n1
InChIInChI=1S/C14H12N4O/c15-14(19)12-6-8-18(17-12)9-11-4-1-3-10-5-2-7-16-13(10)11/h1-8H,9H2,(H2,15,19)
InChIKeyMSJSHFXVNPRHPT-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.58
Rot. Bonds3

About 1-(quinolin-8-ylmethyl)pyrazole-3-carboxamide

1-(quinolin-8-ylmethyl)pyrazole-3-carboxamide (PubChem CID 71259684) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-(quinolin-8-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(quinolin-8-ylmethyl)pyrazole-3-carboxamide
PubChem CID71259684
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name1-(quinolin-8-ylmethyl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(Cc2cccc3cccnc23)n1
InChIInChI=1S/C14H12N4O/c15-14(19)12-6-8-18(17-12)9-11-4-1-3-10-5-2-7-16-13(10)11/h1-8H,9H2,(H2,15,19)
InChIKeyMSJSHFXVNPRHPT-UHFFFAOYSA-N
XLogP1.58
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(quinolin-8-ylmethyl)-1,2,4-triazol-3-amine
CID 54929663
N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]cyclopentanecarboxamide
CID 49011537
2-(quinolin-8-ylmethylamino)ethyl carbamate
CID 83209261
1-pyrido[2,3-d]pyrimidin-4-yl-3-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]urea
CID 146076553
1-(quinolin-8-ylmethyl)pyrazol-4-amine
CID 28774951
5-ethyl-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]-1,3-oxazole-4-carboxamide
CID 75372840
1-(quinolin-8-ylmethyl)pyrrole-2,5-dione
CID 81428770
1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 102533990
2-[1-(quinolin-8-ylmethyl)tetrazol-5-yl]sulfanylacetic acid
CID 81428061
methyl 5-amino-1-(quinolin-8-ylmethyl)imidazole-4-carboxylate
CID 103545848
3-(aminomethyl)-1-(quinolin-8-ylmethyl)pyridin-2-one
CID 107017504
4-nitro-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]benzenesulfonamide
CID 48928565

Frequently Asked Questions

What is the IUPAC name of 1-(quinolin-8-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(quinolin-8-ylmethyl)pyrazole-3-carboxamide (CID 71259684) is 1-(quinolin-8-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(quinolin-8-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(quinolin-8-ylmethyl)pyrazole-3-carboxamide is NC(=O)c1ccn(Cc2cccc3cccnc23)n1.
What is the InChIKey of 1-(quinolin-8-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is MSJSHFXVNPRHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c15-14(19)12-6-8-18(17-12)9-11-4-1-3-10-5-2-7-16-13(10)11/h1-8H,9H2,(H2,15,19).
What are the key properties of 1-(quinolin-8-ylmethyl)pyrazole-3-carboxamide?
1-(quinolin-8-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinolin-8-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 71259684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).