4-amino-1-[2-(butylamino)-2-oxoethyl]pyrazole-3-carboxamide

C10H17N5O2 — CID 107345403

IUPAC4-amino-1-[2-(butylamino)-2-oxoethyl]pyrazole-3-carboxamide
SMILESCCCCNC(=O)Cn1cc(N)c(C(N)=O)n1
InChIInChI=1S/C10H17N5O2/c1-2-3-4-13-8(16)6-15-5-7(11)9(14-15)10(12)17/h5H,2-4,6,11H2,1H3,(H2,12,17)(H,13,16)
InChIKeyKBWSNLKEDMSJBE-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.52
Rot. Bonds6

About 4-amino-1-[2-(butylamino)-2-oxoethyl]pyrazole-3-carboxamide

4-amino-1-[2-(butylamino)-2-oxoethyl]pyrazole-3-carboxamide (PubChem CID 107345403) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-amino-1-[2-(butylamino)-2-oxoethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-[2-(butylamino)-2-oxoethyl]pyrazole-3-carboxamide
PubChem CID107345403
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name4-amino-1-[2-(butylamino)-2-oxoethyl]pyrazole-3-carboxamide
SMILESCCCCNC(=O)Cn1cc(N)c(C(N)=O)n1
InChIInChI=1S/C10H17N5O2/c1-2-3-4-13-8(16)6-15-5-7(11)9(14-15)10(12)17/h5H,2-4,6,11H2,1H3,(H2,12,17)(H,13,16)
InChIKeyKBWSNLKEDMSJBE-UHFFFAOYSA-N
XLogP-0.52
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-amino-1-[2-(butylamino)-2-oxoethyl]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-1-[2-oxo-2-(propylamino)ethyl]pyrazole-3-carboxamide
CID 107345144
ethyl 4-amino-1-[2-(butylamino)-2-oxoethyl]pyrazole-3-carboxylate
CID 107345027
4-amino-1-heptylpyrazole-3-carboxamide
CID 107345098
4-amino-1-[2-(3-methylbutylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 107344279
1-[2-(butylamino)-2-oxoethyl]-4-nitropyrazole-3-carboxylic acid
CID 107345751
N-butyl-2-(4-methylpyrazol-1-yl)acetamide
CID 19526650
4-amino-1-[2-(cyclopentylamino)-2-oxoethyl]pyrazole-3-carboxamide
CID 107345158
ethyl 4-amino-1-[2-(2-cyanoethylamino)-2-oxoethyl]pyrazole-3-carboxylate
CID 107344908
4-amino-1-[3-(methylamino)-3-oxopropyl]pyrazole-3-carboxamide
CID 107345223
2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-butylacetamide
CID 63998333
4-amino-N-hexyl-1-methylpyrazole-3-carboxamide
CID 65354108
methyl 4-amino-1-hexylpyrazole-3-carboxylate
CID 107344558

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-(butylamino)-2-oxoethyl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-[2-(butylamino)-2-oxoethyl]pyrazole-3-carboxamide (CID 107345403) is 4-amino-1-[2-(butylamino)-2-oxoethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-[2-(butylamino)-2-oxoethyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-[2-(butylamino)-2-oxoethyl]pyrazole-3-carboxamide is CCCCNC(=O)Cn1cc(N)c(C(N)=O)n1.
What is the InChIKey of 4-amino-1-[2-(butylamino)-2-oxoethyl]pyrazole-3-carboxamide?
The InChIKey is KBWSNLKEDMSJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-2-3-4-13-8(16)6-15-5-7(11)9(14-15)10(12)17/h5H,2-4,6,11H2,1H3,(H2,12,17)(H,13,16).
What are the key properties of 4-amino-1-[2-(butylamino)-2-oxoethyl]pyrazole-3-carboxamide?
4-amino-1-[2-(butylamino)-2-oxoethyl]pyrazole-3-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-(butylamino)-2-oxoethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 107345403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).