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

C8H13N5O2 — CID 63577284

IUPAC1-(4-hydrazinyl-4-oxobutyl)pyrazole-4-carboxamide
SMILESNNC(=O)CCCn1cc(C(N)=O)cn1
InChIInChI=1S/C8H13N5O2/c9-8(15)6-4-11-13(5-6)3-1-2-7(14)12-10/h4-5H,1-3,10H2,(H2,9,15)(H,12,14)
InChIKeyIMCPMMSKKYHIJD-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.25
Rot. Bonds5

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

1-(4-hydrazinyl-4-oxobutyl)pyrazole-4-carboxamide (PubChem CID 63577284) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-(4-hydrazinyl-4-oxobutyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-hydrazinyl-4-oxobutyl)pyrazole-4-carboxamide
PubChem CID63577284
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name1-(4-hydrazinyl-4-oxobutyl)pyrazole-4-carboxamide
SMILESNNC(=O)CCCn1cc(C(N)=O)cn1
InChIInChI=1S/C8H13N5O2/c9-8(15)6-4-11-13(5-6)3-1-2-7(14)12-10/h4-5H,1-3,10H2,(H2,9,15)(H,12,14)
InChIKeyIMCPMMSKKYHIJD-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-(4-methylpyrazol-1-yl)butanehydrazide
CID 63578152
methyl 3-(4-carbamoylpyrazol-1-yl)propanoate
CID 50896619
1-(2-chloroethyl)pyrazole-4-carboxamide
CID 130161502
1-[2-(methylamino)-2-oxoethyl]pyrazole-4-carboxamide
CID 130605298
1-(4-hydrazinyl-4-oxobutyl)pyrazole-3-carboxamide
CID 64777594
4-(1,2,4-triazol-1-yl)butanehydrazide
CID 63572043
1-[3-(2-aminophenoxy)propyl]pyrazole-4-carboxamide
CID 64782555
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-carboxamide
CID 15788033
1-[[2-(hydrazinecarbonyl)phenyl]methyl]pyrazole-4-carboxamide
CID 63577990
methyl 4-(4-carbamoylpyrazol-1-yl)-2-methylbut-2-enoate
CID 77075936
1-(3-cyano-3-methylbutyl)pyrazole-4-carboxamide
CID 81252764
N-(4-aminophenyl)-4-(4-methylpyrazol-1-yl)butanamide
CID 60871928

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydrazinyl-4-oxobutyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-hydrazinyl-4-oxobutyl)pyrazole-4-carboxamide (CID 63577284) is 1-(4-hydrazinyl-4-oxobutyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-hydrazinyl-4-oxobutyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-hydrazinyl-4-oxobutyl)pyrazole-4-carboxamide is NNC(=O)CCCn1cc(C(N)=O)cn1.
What is the InChIKey of 1-(4-hydrazinyl-4-oxobutyl)pyrazole-4-carboxamide?
The InChIKey is IMCPMMSKKYHIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c9-8(15)6-4-11-13(5-6)3-1-2-7(14)12-10/h4-5H,1-3,10H2,(H2,9,15)(H,12,14).
What are the key properties of 1-(4-hydrazinyl-4-oxobutyl)pyrazole-4-carboxamide?
1-(4-hydrazinyl-4-oxobutyl)pyrazole-4-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-4-carboxamide is sourced from PubChem (CID 63577284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).