4-(butylcarbamoylamino)-1-ethylpyrazole-5-carboxamide

C11H19N5O2 — CID 661464

IUPAC4-(butylcarbamoylamino)-1-ethylpyrazole-5-carboxamide
SMILESCCCCNC(=O)Nc1cnn(CC)c1C(N)=O
InChIInChI=1S/C11H19N5O2/c1-3-5-6-13-11(18)15-8-7-14-16(4-2)9(8)10(12)17/h7H,3-6H2,1-2H3,(H2,12,17)(H2,13,15,18)
InChIKeyPRNSBUPSYKMUCZ-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.92
Rot. Bonds6

About 4-(butylcarbamoylamino)-1-ethylpyrazole-5-carboxamide

4-(butylcarbamoylamino)-1-ethylpyrazole-5-carboxamide (PubChem CID 661464) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-(butylcarbamoylamino)-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(butylcarbamoylamino)-1-ethylpyrazole-5-carboxamide
PubChem CID661464
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name4-(butylcarbamoylamino)-1-ethylpyrazole-5-carboxamide
SMILESCCCCNC(=O)Nc1cnn(CC)c1C(N)=O
InChIInChI=1S/C11H19N5O2/c1-3-5-6-13-11(18)15-8-7-14-16(4-2)9(8)10(12)17/h7H,3-6H2,1-2H3,(H2,12,17)(H2,13,15,18)
InChIKeyPRNSBUPSYKMUCZ-UHFFFAOYSA-N
XLogP0.92
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(butylcarbamoylamino)-1-ethylpyrazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(butylcarbamoylamino)-1-ethylpyrazole-5-carboxamide?
The IUPAC name of 4-(butylcarbamoylamino)-1-ethylpyrazole-5-carboxamide (CID 661464) is 4-(butylcarbamoylamino)-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(butylcarbamoylamino)-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for 4-(butylcarbamoylamino)-1-ethylpyrazole-5-carboxamide is CCCCNC(=O)Nc1cnn(CC)c1C(N)=O.
What is the InChIKey of 4-(butylcarbamoylamino)-1-ethylpyrazole-5-carboxamide?
The InChIKey is PRNSBUPSYKMUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-3-5-6-13-11(18)15-8-7-14-16(4-2)9(8)10(12)17/h7H,3-6H2,1-2H3,(H2,12,17)(H2,13,15,18).
What are the key properties of 4-(butylcarbamoylamino)-1-ethylpyrazole-5-carboxamide?
4-(butylcarbamoylamino)-1-ethylpyrazole-5-carboxamide has a molecular weight of 253.31 g/mol, XLogP of 0.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylcarbamoylamino)-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 661464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).