N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazole-5-carboxamide

C18H21N5O — CID 95278903

IUPACN-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCc1nccn1C[C@@H](C)CNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C18H21N5O/c1-13(12-23-9-8-19-14(23)2)11-20-18(24)17-10-16(21-22-17)15-6-4-3-5-7-15/h3-10,13H,11-12H2,1-2H3,(H,20,24)(H,21,22)/t13-/m0/s1
InChIKeyASACPYOEBSRWSZ-ZDUSSCGKSA-N
MW323.40 g/mol
LogP2.65
Rot. Bonds6

About N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 95278903) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID95278903
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCc1nccn1C[C@@H](C)CNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C18H21N5O/c1-13(12-23-9-8-19-14(23)2)11-20-18(24)17-10-16(21-22-17)15-6-4-3-5-7-15/h3-10,13H,11-12H2,1-2H3,(H,20,24)(H,21,22)/t13-/m0/s1
InChIKeyASACPYOEBSRWSZ-ZDUSSCGKSA-N
XLogP2.65
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 95278903) is N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazole-5-carboxamide is Cc1nccn1C[C@@H](C)CNC(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is ASACPYOEBSRWSZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21N5O/c1-13(12-23-9-8-19-14(23)2)11-20-18(24)17-10-16(21-22-17)15-6-4-3-5-7-15/h3-10,13H,11-12H2,1-2H3,(H,20,24)(H,21,22)/t13-/m0/s1.
What are the key properties of N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 95278903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).