3-amino-N-quinolin-3-yl-1H-pyrazole-5-carboxamide

C13H11N5O — CID 64523845

IUPAC3-amino-N-quinolin-3-yl-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)Nc2cnc3ccccc3c2)[nH]n1
InChIInChI=1S/C13H11N5O/c14-12-6-11(17-18-12)13(19)16-9-5-8-3-1-2-4-10(8)15-7-9/h1-7H,(H,16,19)(H3,14,17,18)
InChIKeyQDRSJNBYPZGKLQ-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.79
Rot. Bonds2

About 3-amino-N-quinolin-3-yl-1H-pyrazole-5-carboxamide

3-amino-N-quinolin-3-yl-1H-pyrazole-5-carboxamide (PubChem CID 64523845) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is 3-amino-N-quinolin-3-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-quinolin-3-yl-1H-pyrazole-5-carboxamide
PubChem CID64523845
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name3-amino-N-quinolin-3-yl-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)Nc2cnc3ccccc3c2)[nH]n1
InChIInChI=1S/C13H11N5O/c14-12-6-11(17-18-12)13(19)16-9-5-8-3-1-2-4-10(8)15-7-9/h1-7H,(H,16,19)(H3,14,17,18)
InChIKeyQDRSJNBYPZGKLQ-UHFFFAOYSA-N
XLogP1.79
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-N-quinolin-3-ylpyridine-2-carboxamide
CID 62805980
6-amino-3-chloro-N-quinolin-3-ylpyridine-2-carboxamide
CID 62805982
4-methyl-N-quinolin-3-ylbenzamide
CID 974969
4-bromo-N-quinolin-3-ylbenzamide
CID 3301629
5-amino-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide
CID 115330770
3-amino-4-fluoro-N-quinolin-3-ylbenzamide
CID 61111864
2-amino-3-chloro-N-quinolin-3-ylbenzamide
CID 115540223
2-amino-4-chloro-N-quinolin-3-ylbenzamide
CID 61111494
3-amino-2-methyl-N-quinolin-3-ylbenzamide
CID 61111679
5-cyano-N-quinolin-3-ylpyridine-2-carboxamide
CID 63719125
methyl N-quinolin-3-ylcarbamate
CID 19697860
2-chloro-5-hydroxy-N-quinolin-3-ylbenzamide
CID 106501765

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-quinolin-3-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-quinolin-3-yl-1H-pyrazole-5-carboxamide (CID 64523845) is 3-amino-N-quinolin-3-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-quinolin-3-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-quinolin-3-yl-1H-pyrazole-5-carboxamide is Nc1cc(C(=O)Nc2cnc3ccccc3c2)[nH]n1.
What is the InChIKey of 3-amino-N-quinolin-3-yl-1H-pyrazole-5-carboxamide?
The InChIKey is QDRSJNBYPZGKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c14-12-6-11(17-18-12)13(19)16-9-5-8-3-1-2-4-10(8)15-7-9/h1-7H,(H,16,19)(H3,14,17,18).
What are the key properties of 3-amino-N-quinolin-3-yl-1H-pyrazole-5-carboxamide?
3-amino-N-quinolin-3-yl-1H-pyrazole-5-carboxamide has a molecular weight of 253.27 g/mol, XLogP of 1.79, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-quinolin-3-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64523845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).