N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide

C17H19FN4O2 — CID 95137289

IUPACN-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESNC(=O)[C@@H](CNC(=O)c1cc(C2CC2)[nH]n1)Cc1ccc(F)cc1
InChIInChI=1S/C17H19FN4O2/c18-13-5-1-10(2-6-13)7-12(16(19)23)9-20-17(24)15-8-14(21-22-15)11-3-4-11/h1-2,5-6,8,11-12H,3-4,7,9H2,(H2,19,23)(H,20,24)(H,21,22)/t12-/m1/s1
InChIKeyCHCAOTDAIKJOOK-GFCCVEGCSA-N
MW330.36 g/mol
LogP1.50
Rot. Bonds7

About N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide

N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide (PubChem CID 95137289) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
PubChem CID95137289
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC NameN-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESNC(=O)[C@@H](CNC(=O)c1cc(C2CC2)[nH]n1)Cc1ccc(F)cc1
InChIInChI=1S/C17H19FN4O2/c18-13-5-1-10(2-6-13)7-12(16(19)23)9-20-17(24)15-8-14(21-22-15)11-3-4-11/h1-2,5-6,8,11-12H,3-4,7,9H2,(H2,19,23)(H,20,24)(H,21,22)/t12-/m1/s1
InChIKeyCHCAOTDAIKJOOK-GFCCVEGCSA-N
XLogP1.50
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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US10022354, Example 183
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Ab-chfupyca
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3-(2,4-difluorophenyl)-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide
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1-(4-Fluorophenyl)-2-[4-(5-methyl-2H-pyrazole-3-carbonyl)-piperazin-1-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide (CID 95137289) is N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide is NC(=O)[C@@H](CNC(=O)c1cc(C2CC2)[nH]n1)Cc1ccc(F)cc1.
What is the InChIKey of N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The InChIKey is CHCAOTDAIKJOOK-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19FN4O2/c18-13-5-1-10(2-6-13)7-12(16(19)23)9-20-17(24)15-8-14(21-22-15)11-3-4-11/h1-2,5-6,8,11-12H,3-4,7,9H2,(H2,19,23)(H,20,24)(H,21,22)/t12-/m1/s1.
What are the key properties of N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 1.50, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 95137289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).