2-amino-N-(1H-pyrazol-4-yl)quinoline-4-carboxamide

C13H11N5O — CID 62154124

IUPAC2-amino-N-(1H-pyrazol-4-yl)quinoline-4-carboxamide
SMILESNc1cc(C(=O)Nc2cn[nH]c2)c2ccccc2n1
InChIInChI=1S/C13H11N5O/c14-12-5-10(9-3-1-2-4-11(9)18-12)13(19)17-8-6-15-16-7-8/h1-7H,(H2,14,18)(H,15,16)(H,17,19)
InChIKeyPYWOTMVLHNIFPY-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.79
Rot. Bonds2

About 2-amino-N-(1H-pyrazol-4-yl)quinoline-4-carboxamide

2-amino-N-(1H-pyrazol-4-yl)quinoline-4-carboxamide (PubChem CID 62154124) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-amino-N-(1H-pyrazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1H-pyrazol-4-yl)quinoline-4-carboxamide
PubChem CID62154124
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name2-amino-N-(1H-pyrazol-4-yl)quinoline-4-carboxamide
SMILESNc1cc(C(=O)Nc2cn[nH]c2)c2ccccc2n1
InChIInChI=1S/C13H11N5O/c14-12-5-10(9-3-1-2-4-11(9)18-12)13(19)17-8-6-15-16-7-8/h1-7H,(H2,14,18)(H,15,16)(H,17,19)
InChIKeyPYWOTMVLHNIFPY-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

2-hydrazinyl-N-(1H-pyrazol-4-yl)quinoline-4-carboxamide
CID 62242138
2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-4-carboxamide
CID 106218026
2-amino-N-(2-chlorophenyl)quinoline-4-carboxamide
CID 62155570
2-amino-N-(2-methylphenyl)quinoline-4-carboxamide
CID 62154395
2-amino-N-tert-butylquinoline-4-carboxamide
CID 62156554
1-hydrazinyl-N-(1H-pyrazol-4-yl)isoquinoline-3-carboxamide
CID 62242496
2-amino-N-(1-methylpyrazol-3-yl)quinoline-4-carboxamide
CID 62160962
2-oxo-6-phenyl-N-(1H-pyrazol-4-yl)-1H-pyridine-3-carboxamide
CID 60506694
6-amino-N-(1H-pyrazol-4-yl)pyridazine-3-carboxamide
CID 62154796
2-amino-N-(2-sulfamoylethyl)quinoline-4-carboxamide
CID 62155502
2-methyl-4-phenoxy-N-(1H-pyrazol-4-yl)benzamide
CID 167795680
2-amino-N-hexan-3-ylquinoline-4-carboxamide
CID 62160815

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1H-pyrazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of 2-amino-N-(1H-pyrazol-4-yl)quinoline-4-carboxamide (CID 62154124) is 2-amino-N-(1H-pyrazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-(1H-pyrazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-amino-N-(1H-pyrazol-4-yl)quinoline-4-carboxamide is Nc1cc(C(=O)Nc2cn[nH]c2)c2ccccc2n1.
What is the InChIKey of 2-amino-N-(1H-pyrazol-4-yl)quinoline-4-carboxamide?
The InChIKey is PYWOTMVLHNIFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c14-12-5-10(9-3-1-2-4-11(9)18-12)13(19)17-8-6-15-16-7-8/h1-7H,(H2,14,18)(H,15,16)(H,17,19).
What are the key properties of 2-amino-N-(1H-pyrazol-4-yl)quinoline-4-carboxamide?
2-amino-N-(1H-pyrazol-4-yl)quinoline-4-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 2-amino-N-(1H-pyrazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 62154124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).