1-(4-hydrazinyl-4-oxobutyl)pyrazole-3-carboxamide

C8H13N5O2 — CID 64777594

IUPAC1-(4-hydrazinyl-4-oxobutyl)pyrazole-3-carboxamide
SMILESNNC(=O)CCCn1ccc(C(N)=O)n1
InChIInChI=1S/C8H13N5O2/c9-8(15)6-3-5-13(12-6)4-1-2-7(14)11-10/h3,5H,1-2,4,10H2,(H2,9,15)(H,11,14)
InChIKeyIAKAAJXHWKJWAH-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.25
Rot. Bonds5

About 1-(4-hydrazinyl-4-oxobutyl)pyrazole-3-carboxamide

1-(4-hydrazinyl-4-oxobutyl)pyrazole-3-carboxamide (PubChem CID 64777594) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-(4-hydrazinyl-4-oxobutyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-hydrazinyl-4-oxobutyl)pyrazole-3-carboxamide
PubChem CID64777594
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name1-(4-hydrazinyl-4-oxobutyl)pyrazole-3-carboxamide
SMILESNNC(=O)CCCn1ccc(C(N)=O)n1
InChIInChI=1S/C8H13N5O2/c9-8(15)6-3-5-13(12-6)4-1-2-7(14)11-10/h3,5H,1-2,4,10H2,(H2,9,15)(H,11,14)
InChIKeyIAKAAJXHWKJWAH-UHFFFAOYSA-N
XLogP-1.25
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(trifluoromethyl)pyrazol-1-yl]butanehydrazide
CID 63579585
1-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 105352263
1-[3-(azetidin-1-yl)propyl]pyrazole-3-carboxamide
CID 22574275
4-(1,2,4-triazol-1-yl)butanehydrazide
CID 63572043
1-[2-(3-carbamoylpyrazol-1-yl)ethyl]triazole-4-carboxylic acid
CID 64779731
4-(3-carbamoylpyrazol-1-yl)-2-ethylbut-2-enoic acid
CID 77102186
1-(4-hydrazinyl-4-oxobutan-2-yl)pyrazole-3-carboxamide
CID 64779947
4-(4-methylpyrazol-1-yl)butanehydrazide
CID 63578152
methyl 4-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoate
CID 64781303
4-(3-carbamoylpyrazol-1-yl)-3-methylbut-2-enoic acid
CID 77042529
4-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid
CID 64780921
1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 102533990

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydrazinyl-4-oxobutyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-hydrazinyl-4-oxobutyl)pyrazole-3-carboxamide (CID 64777594) is 1-(4-hydrazinyl-4-oxobutyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-hydrazinyl-4-oxobutyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-hydrazinyl-4-oxobutyl)pyrazole-3-carboxamide is NNC(=O)CCCn1ccc(C(N)=O)n1.
What is the InChIKey of 1-(4-hydrazinyl-4-oxobutyl)pyrazole-3-carboxamide?
The InChIKey is IAKAAJXHWKJWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c9-8(15)6-3-5-13(12-6)4-1-2-7(14)11-10/h3,5H,1-2,4,10H2,(H2,9,15)(H,11,14).
What are the key properties of 1-(4-hydrazinyl-4-oxobutyl)pyrazole-3-carboxamide?
1-(4-hydrazinyl-4-oxobutyl)pyrazole-3-carboxamide has a molecular weight of 211.22 g/mol, XLogP of -1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydrazinyl-4-oxobutyl)pyrazole-3-carboxamide is sourced from PubChem (CID 64777594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).