1-hydrazinyl-N-(1H-pyrazol-4-yl)isoquinoline-3-carboxamide

C13H12N6O — CID 62242496

IUPAC1-hydrazinyl-N-(1H-pyrazol-4-yl)isoquinoline-3-carboxamide
SMILESNNc1nc(C(=O)Nc2cn[nH]c2)cc2ccccc12
InChIInChI=1S/C13H12N6O/c14-19-12-10-4-2-1-3-8(10)5-11(18-12)13(20)17-9-6-15-16-7-9/h1-7H,14H2,(H,15,16)(H,17,20)(H,18,19)
InChIKeyPOSGKYSJYBHKLR-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.50
Rot. Bonds3

About 1-hydrazinyl-N-(1H-pyrazol-4-yl)isoquinoline-3-carboxamide

1-hydrazinyl-N-(1H-pyrazol-4-yl)isoquinoline-3-carboxamide (PubChem CID 62242496) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-hydrazinyl-N-(1H-pyrazol-4-yl)isoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-hydrazinyl-N-(1H-pyrazol-4-yl)isoquinoline-3-carboxamide
PubChem CID62242496
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name1-hydrazinyl-N-(1H-pyrazol-4-yl)isoquinoline-3-carboxamide
SMILESNNc1nc(C(=O)Nc2cn[nH]c2)cc2ccccc12
InChIInChI=1S/C13H12N6O/c14-19-12-10-4-2-1-3-8(10)5-11(18-12)13(20)17-9-6-15-16-7-9/h1-7H,14H2,(H,15,16)(H,17,20)(H,18,19)
InChIKeyPOSGKYSJYBHKLR-UHFFFAOYSA-N
XLogP1.50
TPSA108.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-hydrazinyl-N-(1,2-oxazol-4-yl)isoquinoline-3-carboxamide
CID 62915996
2-hydrazinyl-N-(1H-pyrazol-4-yl)quinoline-4-carboxamide
CID 62242138
1-methyl-N-(1H-pyrazol-4-yl)indole-2-carboxamide
CID 166206735
2-amino-N-(1H-pyrazol-4-yl)quinoline-4-carboxamide
CID 62154124
1-hydrazinyl-N-[1-(methylamino)-1-oxopropan-2-yl]isoquinoline-3-carboxamide
CID 62249172
N-(1-cyclopropylethyl)-1-hydrazinylisoquinoline-3-carboxamide
CID 62242128
N-[2-(dimethylamino)ethyl]-1-hydrazinylisoquinoline-3-carboxamide
CID 62249892
1-hydrazinyl-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide
CID 62243238
1-hydrazinyl-N-[3-(methylamino)-3-oxopropyl]isoquinoline-3-carboxamide
CID 62249319
3-amino-N-(1H-pyrazol-4-yl)benzamide
CID 43539714
3-chloro-N-(1H-pyrazol-4-yl)benzamide
CID 43429419
1-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)isoquinoline-3-carboxamide
CID 81178122

Frequently Asked Questions

What is the IUPAC name of 1-hydrazinyl-N-(1H-pyrazol-4-yl)isoquinoline-3-carboxamide?
The IUPAC name of 1-hydrazinyl-N-(1H-pyrazol-4-yl)isoquinoline-3-carboxamide (CID 62242496) is 1-hydrazinyl-N-(1H-pyrazol-4-yl)isoquinoline-3-carboxamide.
What is the SMILES notation for 1-hydrazinyl-N-(1H-pyrazol-4-yl)isoquinoline-3-carboxamide?
The canonical SMILES for 1-hydrazinyl-N-(1H-pyrazol-4-yl)isoquinoline-3-carboxamide is NNc1nc(C(=O)Nc2cn[nH]c2)cc2ccccc12.
What is the InChIKey of 1-hydrazinyl-N-(1H-pyrazol-4-yl)isoquinoline-3-carboxamide?
The InChIKey is POSGKYSJYBHKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c14-19-12-10-4-2-1-3-8(10)5-11(18-12)13(20)17-9-6-15-16-7-9/h1-7H,14H2,(H,15,16)(H,17,20)(H,18,19).
What are the key properties of 1-hydrazinyl-N-(1H-pyrazol-4-yl)isoquinoline-3-carboxamide?
1-hydrazinyl-N-(1H-pyrazol-4-yl)isoquinoline-3-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 1.50, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydrazinyl-N-(1H-pyrazol-4-yl)isoquinoline-3-carboxamide is sourced from PubChem (CID 62242496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).