N-[(2S)-3-imidazol-1-yl-2-methylpropyl]-5-phenyl-1H-pyrazole-4-carboxamide

C17H19N5O — CID 96570313

IUPACN-[(2S)-3-imidazol-1-yl-2-methylpropyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESC[C@@H](CNC(=O)c1cn[nH]c1-c1ccccc1)Cn1ccnc1
InChIInChI=1S/C17H19N5O/c1-13(11-22-8-7-18-12-22)9-19-17(23)15-10-20-21-16(15)14-5-3-2-4-6-14/h2-8,10,12-13H,9,11H2,1H3,(H,19,23)(H,20,21)/t13-/m0/s1
InChIKeyDNHBRPMIYNAXII-ZDUSSCGKSA-N
MW309.37 g/mol
LogP2.34
Rot. Bonds6

About N-[(2S)-3-imidazol-1-yl-2-methylpropyl]-5-phenyl-1H-pyrazole-4-carboxamide

N-[(2S)-3-imidazol-1-yl-2-methylpropyl]-5-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 96570313) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[(2S)-3-imidazol-1-yl-2-methylpropyl]-5-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-imidazol-1-yl-2-methylpropyl]-5-phenyl-1H-pyrazole-4-carboxamide
PubChem CID96570313
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-[(2S)-3-imidazol-1-yl-2-methylpropyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESC[C@@H](CNC(=O)c1cn[nH]c1-c1ccccc1)Cn1ccnc1
InChIInChI=1S/C17H19N5O/c1-13(11-22-8-7-18-12-22)9-19-17(23)15-10-20-21-16(15)14-5-3-2-4-6-14/h2-8,10,12-13H,9,11H2,1H3,(H,19,23)(H,20,21)/t13-/m0/s1
InChIKeyDNHBRPMIYNAXII-ZDUSSCGKSA-N
XLogP2.34
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-imidazol-1-yl-2-methylpropyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(2S)-3-imidazol-1-yl-2-methylpropyl]-5-phenyl-1H-pyrazole-4-carboxamide (CID 96570313) is N-[(2S)-3-imidazol-1-yl-2-methylpropyl]-5-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-3-imidazol-1-yl-2-methylpropyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(2S)-3-imidazol-1-yl-2-methylpropyl]-5-phenyl-1H-pyrazole-4-carboxamide is C[C@@H](CNC(=O)c1cn[nH]c1-c1ccccc1)Cn1ccnc1.
What is the InChIKey of N-[(2S)-3-imidazol-1-yl-2-methylpropyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is DNHBRPMIYNAXII-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19N5O/c1-13(11-22-8-7-18-12-22)9-19-17(23)15-10-20-21-16(15)14-5-3-2-4-6-14/h2-8,10,12-13H,9,11H2,1H3,(H,19,23)(H,20,21)/t13-/m0/s1.
What are the key properties of N-[(2S)-3-imidazol-1-yl-2-methylpropyl]-5-phenyl-1H-pyrazole-4-carboxamide?
N-[(2S)-3-imidazol-1-yl-2-methylpropyl]-5-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-imidazol-1-yl-2-methylpropyl]-5-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 96570313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).