1-[1-[ethyl(2-pyrazol-1-ylethyl)amino]-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide

C15H22N6O2 — CID 173085347

IUPAC1-[1-[ethyl(2-pyrazol-1-ylethyl)amino]-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide
SMILESCCN(CCn1cccn1)C(=O)C(C)(C)n1ccnc1C(N)=O
InChIInChI=1S/C15H22N6O2/c1-4-19(10-11-20-8-5-6-18-20)14(23)15(2,3)21-9-7-17-13(21)12(16)22/h5-9H,4,10-11H2,1-3H3,(H2,16,22)
InChIKeyJLQCCGZHDPYINB-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.46
Rot. Bonds7

About 1-[1-[ethyl(2-pyrazol-1-ylethyl)amino]-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide

1-[1-[ethyl(2-pyrazol-1-ylethyl)amino]-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide (PubChem CID 173085347) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-[1-[ethyl(2-pyrazol-1-ylethyl)amino]-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide.

Molecular Properties

Compound Name1-[1-[ethyl(2-pyrazol-1-ylethyl)amino]-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide
PubChem CID173085347
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name1-[1-[ethyl(2-pyrazol-1-ylethyl)amino]-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide
SMILESCCN(CCn1cccn1)C(=O)C(C)(C)n1ccnc1C(N)=O
InChIInChI=1S/C15H22N6O2/c1-4-19(10-11-20-8-5-6-18-20)14(23)15(2,3)21-9-7-17-13(21)12(16)22/h5-9H,4,10-11H2,1-3H3,(H2,16,22)
InChIKeyJLQCCGZHDPYINB-UHFFFAOYSA-N
XLogP0.46
TPSA99.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-[ethyl(2-pyrazol-1-ylethyl)amino]-2-methyl-1-oxopropan-2-yl]imidazole-2-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 1-[1-[ethyl(2-pyrazol-1-ylethyl)amino]-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide?
The IUPAC name of 1-[1-[ethyl(2-pyrazol-1-ylethyl)amino]-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide (CID 173085347) is 1-[1-[ethyl(2-pyrazol-1-ylethyl)amino]-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide.
What is the SMILES notation for 1-[1-[ethyl(2-pyrazol-1-ylethyl)amino]-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide?
The canonical SMILES for 1-[1-[ethyl(2-pyrazol-1-ylethyl)amino]-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide is CCN(CCn1cccn1)C(=O)C(C)(C)n1ccnc1C(N)=O.
What is the InChIKey of 1-[1-[ethyl(2-pyrazol-1-ylethyl)amino]-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide?
The InChIKey is JLQCCGZHDPYINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-4-19(10-11-20-8-5-6-18-20)14(23)15(2,3)21-9-7-17-13(21)12(16)22/h5-9H,4,10-11H2,1-3H3,(H2,16,22).
What are the key properties of 1-[1-[ethyl(2-pyrazol-1-ylethyl)amino]-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide?
1-[1-[ethyl(2-pyrazol-1-ylethyl)amino]-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 0.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[ethyl(2-pyrazol-1-ylethyl)amino]-2-methyl-1-oxopropan-2-yl]imidazole-2-carboxamide is sourced from PubChem (CID 173085347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).