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

C19H17ClN4O2 — CID 166206978

IUPACN-[(1S)-3-amino-3-oxo-1-phenylpropyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
SMILESNC(=O)C[C@H](NC(=O)c1cn[nH]c1-c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C19H17ClN4O2/c20-14-8-6-13(7-9-14)18-15(11-22-24-18)19(26)23-16(10-17(21)25)12-4-2-1-3-5-12/h1-9,11,16H,10H2,(H2,21,25)(H,22,24)(H,23,26)/t16-/m0/s1
InChIKeyKZJIIZNQQZNUKU-INIZCTEOSA-N
MW368.82 g/mol
LogP3.08
Rot. Bonds6

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

N-[(1S)-3-amino-3-oxo-1-phenylpropyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide (PubChem CID 166206978) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-[(1S)-3-amino-3-oxo-1-phenylpropyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-3-amino-3-oxo-1-phenylpropyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
PubChem CID166206978
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC NameN-[(1S)-3-amino-3-oxo-1-phenylpropyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
SMILESNC(=O)C[C@H](NC(=O)c1cn[nH]c1-c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C19H17ClN4O2/c20-14-8-6-13(7-9-14)18-15(11-22-24-18)19(26)23-16(10-17(21)25)12-4-2-1-3-5-12/h1-9,11,16H,10H2,(H2,21,25)(H,22,24)(H,23,26)/t16-/m0/s1
InChIKeyKZJIIZNQQZNUKU-INIZCTEOSA-N
XLogP3.08
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.08
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-(4-chlorophenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(1S)-3-amino-3-oxo-1-phenylpropyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide (CID 166206978) is N-[(1S)-3-amino-3-oxo-1-phenylpropyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-3-amino-3-oxo-1-phenylpropyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(1S)-3-amino-3-oxo-1-phenylpropyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide is NC(=O)C[C@H](NC(=O)c1cn[nH]c1-c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[(1S)-3-amino-3-oxo-1-phenylpropyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is KZJIIZNQQZNUKU-INIZCTEOSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c20-14-8-6-13(7-9-14)18-15(11-22-24-18)19(26)23-16(10-17(21)25)12-4-2-1-3-5-12/h1-9,11,16H,10H2,(H2,21,25)(H,22,24)(H,23,26)/t16-/m0/s1.
What are the key properties of N-[(1S)-3-amino-3-oxo-1-phenylpropyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide?
N-[(1S)-3-amino-3-oxo-1-phenylpropyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 3.08, 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-(4-chlorophenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 166206978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).