N-[2-(1H-imidazol-2-yl)ethyl]-2-propan-2-ylpyrazole-3-carboxamide

C12H17N5O — CID 119063984

IUPACN-[2-(1H-imidazol-2-yl)ethyl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1nccc1C(=O)NCCc1ncc[nH]1
InChIInChI=1S/C12H17N5O/c1-9(2)17-10(3-6-16-17)12(18)15-5-4-11-13-7-8-14-11/h3,6-9H,4-5H2,1-2H3,(H,13,14)(H,15,18)
InChIKeyCCCIYORXAXEGMT-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.16
Rot. Bonds5

About N-[2-(1H-imidazol-2-yl)ethyl]-2-propan-2-ylpyrazole-3-carboxamide

N-[2-(1H-imidazol-2-yl)ethyl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 119063984) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]-2-propan-2-ylpyrazole-3-carboxamide
PubChem CID119063984
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1nccc1C(=O)NCCc1ncc[nH]1
InChIInChI=1S/C12H17N5O/c1-9(2)17-10(3-6-16-17)12(18)15-5-4-11-13-7-8-14-11/h3,6-9H,4-5H2,1-2H3,(H,13,14)(H,15,18)
InChIKeyCCCIYORXAXEGMT-UHFFFAOYSA-N
XLogP1.16
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(1H-imidazol-2-yl)ethyl]-2-propan-2-ylpyrazole-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

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-2-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-2-propan-2-ylpyrazole-3-carboxamide (CID 119063984) is N-[2-(1H-imidazol-2-yl)ethyl]-2-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]-2-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]-2-propan-2-ylpyrazole-3-carboxamide is CC(C)n1nccc1C(=O)NCCc1ncc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]-2-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is CCCIYORXAXEGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-9(2)17-10(3-6-16-17)12(18)15-5-4-11-13-7-8-14-11/h3,6-9H,4-5H2,1-2H3,(H,13,14)(H,15,18).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]-2-propan-2-ylpyrazole-3-carboxamide?
N-[2-(1H-imidazol-2-yl)ethyl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 119063984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).