N'-acetyl-4-methyl-1H-pyrazole-5-carbohydrazide

C7H10N4O2 — CID 130628972

IUPACN'-acetyl-4-methyl-1H-pyrazole-5-carbohydrazide
SMILESCC(=O)NNC(=O)c1[nH]ncc1C
InChIInChI=1S/C7H10N4O2/c1-4-3-8-10-6(4)7(13)11-9-5(2)12/h3H,1-2H3,(H,8,10)(H,9,12)(H,11,13)
InChIKeyMPWHFZZDYKDDAE-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.50
Rot. Bonds1

About N'-acetyl-4-methyl-1H-pyrazole-5-carbohydrazide

N'-acetyl-4-methyl-1H-pyrazole-5-carbohydrazide (PubChem CID 130628972) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is N'-acetyl-4-methyl-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-acetyl-4-methyl-1H-pyrazole-5-carbohydrazide
PubChem CID130628972
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC NameN'-acetyl-4-methyl-1H-pyrazole-5-carbohydrazide
SMILESCC(=O)NNC(=O)c1[nH]ncc1C
InChIInChI=1S/C7H10N4O2/c1-4-3-8-10-6(4)7(13)11-9-5(2)12/h3H,1-2H3,(H,8,10)(H,9,12)(H,11,13)
InChIKeyMPWHFZZDYKDDAE-UHFFFAOYSA-N
XLogP-0.50
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.50
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

N-cyclopropyl-4-methyl-1H-pyrazole-5-carboxamide
CID 110847961
4-methyl-1H-pyrazole-5-carboxamide
CID 19376020
N-(1-amino-2-methylpropan-2-yl)-4-methyl-1H-pyrazole-5-carboxamide
CID 83617586
2-methyl-3-[(4-methyl-1H-pyrazole-5-carbonyl)amino]propanoic acid
CID 110835261
N-(4-cyanophenyl)-4-methyl-1H-pyrazole-5-carboxamide
CID 110864874
N-(2-ethylphenyl)-4-methyl-1H-pyrazole-5-carboxamide
CID 110857692
N-(3,4-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide
CID 110860648
ethane;ethyl 4-methyl-1H-pyrazole-5-carboxylate
CID 144671830
4-methyl-N-[[3-(methylsulfanylmethyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-pyrazole-5-carboxamide
CID 166252994
N-amino-N',4-dimethyl-1H-pyrazole-5-carboximidamide
CID 137272488
5-buta-1,3-dien-2-yl-4-methyl-1H-pyrazole
CID 123564030
4-bromo-N'-(2-chloroacetyl)-1H-pyrazole-5-carbohydrazide
CID 12921227

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-4-methyl-1H-pyrazole-5-carbohydrazide?
The IUPAC name of N'-acetyl-4-methyl-1H-pyrazole-5-carbohydrazide (CID 130628972) is N'-acetyl-4-methyl-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for N'-acetyl-4-methyl-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for N'-acetyl-4-methyl-1H-pyrazole-5-carbohydrazide is CC(=O)NNC(=O)c1[nH]ncc1C.
What is the InChIKey of N'-acetyl-4-methyl-1H-pyrazole-5-carbohydrazide?
The InChIKey is MPWHFZZDYKDDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-4-3-8-10-6(4)7(13)11-9-5(2)12/h3H,1-2H3,(H,8,10)(H,9,12)(H,11,13).
What are the key properties of N'-acetyl-4-methyl-1H-pyrazole-5-carbohydrazide?
N'-acetyl-4-methyl-1H-pyrazole-5-carbohydrazide has a molecular weight of 182.18 g/mol, XLogP of -0.50, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-4-methyl-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 130628972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).