N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydrazinylpyridine-4-carboxamide

C14H20N6O — CID 105072536

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydrazinylpyridine-4-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2ccncc2NN)n1
InChIInChI=1S/C14H20N6O/c1-10-8-11(2)20(19-10)7-3-5-17-14(21)12-4-6-16-9-13(12)18-15/h4,6,8-9,18H,3,5,7,15H2,1-2H3,(H,17,21)
InChIKeyGLTOLPXABDDHMX-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.00
Rot. Bonds6

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydrazinylpyridine-4-carboxamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydrazinylpyridine-4-carboxamide (PubChem CID 105072536) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydrazinylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydrazinylpyridine-4-carboxamide
PubChem CID105072536
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydrazinylpyridine-4-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2ccncc2NN)n1
InChIInChI=1S/C14H20N6O/c1-10-8-11(2)20(19-10)7-3-5-17-14(21)12-4-6-16-9-13(12)18-15/h4,6,8-9,18H,3,5,7,15H2,1-2H3,(H,17,21)
InChIKeyGLTOLPXABDDHMX-UHFFFAOYSA-N
XLogP1.00
TPSA97.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide
CID 30954654
3-hydrazinyl-N-(3-methylsulfanylpropyl)pyridine-4-carboxamide
CID 105072201
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridazine-4-carboxamide
CID 77095486
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbenzamide
CID 114536121
5-amino-2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 115597258
4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxylic acid
CID 114537300
3-hydrazinyl-N-(4-methylpentyl)pyridine-4-carboxamide
CID 105072134
5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluorobenzamide
CID 114536137
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,4-difluorobenzamide
CID 30288354
2-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluorobenzamide
CID 51217423
3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2-carboxamide
CID 114536613

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydrazinylpyridine-4-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydrazinylpyridine-4-carboxamide (CID 105072536) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydrazinylpyridine-4-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydrazinylpyridine-4-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydrazinylpyridine-4-carboxamide is Cc1cc(C)n(CCCNC(=O)c2ccncc2NN)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydrazinylpyridine-4-carboxamide?
The InChIKey is GLTOLPXABDDHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-10-8-11(2)20(19-10)7-3-5-17-14(21)12-4-6-16-9-13(12)18-15/h4,6,8-9,18H,3,5,7,15H2,1-2H3,(H,17,21).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydrazinylpyridine-4-carboxamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydrazinylpyridine-4-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydrazinylpyridine-4-carboxamide is sourced from PubChem (CID 105072536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).