N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydrazinylpyridine-3-carboxamide

C12H16N6O — CID 112671971

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydrazinylpyridine-3-carboxamide
SMILESCc1nn(C)cc1CNC(=O)c1cnccc1NN
InChIInChI=1S/C12H16N6O/c1-8-9(7-18(2)17-8)5-15-12(19)10-6-14-4-3-11(10)16-13/h3-4,6-7H,5,13H2,1-2H3,(H,14,16)(H,15,19)
InChIKeyVNYOAMXVNKECDH-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.34
Rot. Bonds4

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydrazinylpyridine-3-carboxamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydrazinylpyridine-3-carboxamide (PubChem CID 112671971) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydrazinylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydrazinylpyridine-3-carboxamide
PubChem CID112671971
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydrazinylpyridine-3-carboxamide
SMILESCc1nn(C)cc1CNC(=O)c1cnccc1NN
InChIInChI=1S/C12H16N6O/c1-8-9(7-18(2)17-8)5-15-12(19)10-6-14-4-3-11(10)16-13/h3-4,6-7H,5,13H2,1-2H3,(H,14,16)(H,15,19)
InChIKeyVNYOAMXVNKECDH-UHFFFAOYSA-N
XLogP0.34
TPSA97.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-hydrazinylpyridine-4-carboxamide
CID 105072426
5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 112671836
2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]benzoic acid
CID 115989224
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorobenzamide
CID 112668766
5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 112671835
2-amino-5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide
CID 112670930
2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-hydroxybenzamide
CID 107075896
N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane
CID 142558548
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide
CID 112670100
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydrazinylpyridine-4-carboxamide
CID 106040133
2-amino-4-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide
CID 112668155
4-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 81248898

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydrazinylpyridine-3-carboxamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydrazinylpyridine-3-carboxamide (CID 112671971) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydrazinylpyridine-3-carboxamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydrazinylpyridine-3-carboxamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydrazinylpyridine-3-carboxamide is Cc1nn(C)cc1CNC(=O)c1cnccc1NN.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydrazinylpyridine-3-carboxamide?
The InChIKey is VNYOAMXVNKECDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-8-9(7-18(2)17-8)5-15-12(19)10-6-14-4-3-11(10)16-13/h3-4,6-7H,5,13H2,1-2H3,(H,14,16)(H,15,19).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydrazinylpyridine-3-carboxamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydrazinylpyridine-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydrazinylpyridine-3-carboxamide is sourced from PubChem (CID 112671971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).