N-[(1S)-3-amino-3-oxo-1-phenylpropyl]-5-phenyl-1H-pyrazole-4-carboxamide

C19H18N4O2 — CID 166206959

IUPACN-[(1S)-3-amino-3-oxo-1-phenylpropyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESNC(=O)C[C@H](NC(=O)c1cn[nH]c1-c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18N4O2/c20-17(24)11-16(13-7-3-1-4-8-13)22-19(25)15-12-21-23-18(15)14-9-5-2-6-10-14/h1-10,12,16H,11H2,(H2,20,24)(H,21,23)(H,22,25)/t16-/m0/s1
InChIKeyGJBCBUWMZBIATH-INIZCTEOSA-N
MW334.38 g/mol
LogP2.42
Rot. Bonds6

About N-[(1S)-3-amino-3-oxo-1-phenylpropyl]-5-phenyl-1H-pyrazole-4-carboxamide

N-[(1S)-3-amino-3-oxo-1-phenylpropyl]-5-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 166206959) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(1S)-3-amino-3-oxo-1-phenylpropyl]-5-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-3-amino-3-oxo-1-phenylpropyl]-5-phenyl-1H-pyrazole-4-carboxamide
PubChem CID166206959
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[(1S)-3-amino-3-oxo-1-phenylpropyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESNC(=O)C[C@H](NC(=O)c1cn[nH]c1-c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18N4O2/c20-17(24)11-16(13-7-3-1-4-8-13)22-19(25)15-12-21-23-18(15)14-9-5-2-6-10-14/h1-10,12,16H,11H2,(H2,20,24)(H,21,23)(H,22,25)/t16-/m0/s1
InChIKeyGJBCBUWMZBIATH-INIZCTEOSA-N
XLogP2.42
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-amino-3-oxo-1-phenylpropyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(1S)-3-amino-3-oxo-1-phenylpropyl]-5-phenyl-1H-pyrazole-4-carboxamide (CID 166206959) is N-[(1S)-3-amino-3-oxo-1-phenylpropyl]-5-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-3-amino-3-oxo-1-phenylpropyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(1S)-3-amino-3-oxo-1-phenylpropyl]-5-phenyl-1H-pyrazole-4-carboxamide is NC(=O)C[C@H](NC(=O)c1cn[nH]c1-c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S)-3-amino-3-oxo-1-phenylpropyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is GJBCBUWMZBIATH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H18N4O2/c20-17(24)11-16(13-7-3-1-4-8-13)22-19(25)15-12-21-23-18(15)14-9-5-2-6-10-14/h1-10,12,16H,11H2,(H2,20,24)(H,21,23)(H,22,25)/t16-/m0/s1.
What are the key properties of N-[(1S)-3-amino-3-oxo-1-phenylpropyl]-5-phenyl-1H-pyrazole-4-carboxamide?
N-[(1S)-3-amino-3-oxo-1-phenylpropyl]-5-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-amino-3-oxo-1-phenylpropyl]-5-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 166206959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).