N'-propan-2-yl-1H-pyrazole-5-carbohydrazide

C7H12N4O — CID 90679861

IUPACN'-propan-2-yl-1H-pyrazole-5-carbohydrazide
SMILESCC(C)NNC(=O)c1ccn[nH]1
InChIInChI=1S/C7H12N4O/c1-5(2)9-11-7(12)6-3-4-8-10-6/h3-5,9H,1-2H3,(H,8,10)(H,11,12)
InChIKeyVGKBFIXDTAMBJF-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.05
Rot. Bonds3

About N'-propan-2-yl-1H-pyrazole-5-carbohydrazide

N'-propan-2-yl-1H-pyrazole-5-carbohydrazide (PubChem CID 90679861) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is N'-propan-2-yl-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-propan-2-yl-1H-pyrazole-5-carbohydrazide
PubChem CID90679861
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC NameN'-propan-2-yl-1H-pyrazole-5-carbohydrazide
SMILESCC(C)NNC(=O)c1ccn[nH]1
InChIInChI=1S/C7H12N4O/c1-5(2)9-11-7(12)6-3-4-8-10-6/h3-5,9H,1-2H3,(H,8,10)(H,11,12)
InChIKeyVGKBFIXDTAMBJF-UHFFFAOYSA-N
XLogP0.05
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1H-pyrazole-3-carbaldehyde
CID 12218383
N'-cyclopentylidene-1H-pyrazole-5-carbohydrazide
CID 763137
1H-pyrazole-5-carbohydrazide
CID 7147494
1H-Pyrazole-5-carboxamide
CID 15239624
n-Methyl-1h-pyrazole-3-carboxamide
CID 19704574
N-(propan-2-yl)-1H-pyrazole-3-carboxamide
CID 53017380
1-methyl-1H-pyrazole-3-carbohydrazide
CID 955611
4-methyl-1H-pyrazole-3-carbohydrazide
CID 13405304
N~3~-isobutyl-1H-pyrazole-3-carboxamide
CID 53017403
Amino-1h-pyrazolecarboxamide
CID 15152502
N-tert-Butyl-1H-pyrazole-5-carboxamide
CID 23279698
N-(2-aminoethyl)-1H-pyrazole-5-carboxamide hydrochloride
CID 71758320

Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-1H-pyrazole-5-carbohydrazide?
The IUPAC name of N'-propan-2-yl-1H-pyrazole-5-carbohydrazide (CID 90679861) is N'-propan-2-yl-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for N'-propan-2-yl-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for N'-propan-2-yl-1H-pyrazole-5-carbohydrazide is CC(C)NNC(=O)c1ccn[nH]1.
What is the InChIKey of N'-propan-2-yl-1H-pyrazole-5-carbohydrazide?
The InChIKey is VGKBFIXDTAMBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-5(2)9-11-7(12)6-3-4-8-10-6/h3-5,9H,1-2H3,(H,8,10)(H,11,12).
What are the key properties of N'-propan-2-yl-1H-pyrazole-5-carbohydrazide?
N'-propan-2-yl-1H-pyrazole-5-carbohydrazide has a molecular weight of 168.20 g/mol, XLogP of 0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 90679861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).