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'}

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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).