(2S)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide

C12H17N5O — CID 164630474

IUPAC(2S)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
SMILESC[C@@H](Cn1cccn1)C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C12H17N5O/c1-10(8-17-6-2-4-16-17)12(18)14-5-3-11-7-13-9-15-11/h2,4,6-7,9-10H,3,5,8H2,1H3,(H,13,15)(H,14,18)/t10-/m0/s1
InChIKeyRNOOHVIXANKKQM-JTQLQIEISA-N
MW247.30 g/mol
LogP0.60
Rot. Bonds6

About (2S)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide

(2S)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide (PubChem CID 164630474) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is (2S)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
PubChem CID164630474
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name(2S)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
SMILESC[C@@H](Cn1cccn1)C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C12H17N5O/c1-10(8-17-6-2-4-16-17)12(18)14-5-3-11-7-13-9-15-11/h2,4,6-7,9-10H,3,5,8H2,1H3,(H,13,15)(H,14,18)/t10-/m0/s1
InChIKeyRNOOHVIXANKKQM-JTQLQIEISA-N
XLogP0.60
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide 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

N-[2-(2-chlorophenyl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 131905264
2-methyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylpropyl)propanamide
CID 131920894
N-[2-(1H-imidazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 65231406
2-acetamido-N-[2-(1H-imidazol-5-yl)ethyl]butanamide
CID 54153226
N-[2-(1H-imidazol-5-yl)ethyl]-2-methylprop-2-enamide
CID 54544800
1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 65231782
2-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-pyrazol-1-ylpropanamide
CID 137196556
2-carbamothioyl-N-[2-(1H-imidazol-5-yl)ethyl]-3-methylbutanamide
CID 65231137
N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 77085154
(2S)-N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 99931768
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 131902729
(4S)-4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid
CID 10220386

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide?
The IUPAC name of (2S)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide (CID 164630474) is (2S)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for (2S)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide?
The canonical SMILES for (2S)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide is C[C@@H](Cn1cccn1)C(=O)NCCc1cnc[nH]1.
What is the InChIKey of (2S)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide?
The InChIKey is RNOOHVIXANKKQM-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17N5O/c1-10(8-17-6-2-4-16-17)12(18)14-5-3-11-7-13-9-15-11/h2,4,6-7,9-10H,3,5,8H2,1H3,(H,13,15)(H,14,18)/t10-/m0/s1.
What are the key properties of (2S)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide?
(2S)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide has a molecular weight of 247.30 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 164630474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).