3-(4-hydroxyphenyl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide

C17H20N4O3 — CID 136772131

IUPAC3-(4-hydroxyphenyl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
SMILESCCCN1C[C@@H](NC(=O)c2cc(-c3ccc(O)cc3)n[nH]2)CC1=O
InChIInChI=1S/C17H20N4O3/c1-2-7-21-10-12(8-16(21)23)18-17(24)15-9-14(19-20-15)11-3-5-13(22)6-4-11/h3-6,9,12,22H,2,7-8,10H2,1H3,(H,18,24)(H,19,20)/t12-/m0/s1
InChIKeyBJGVLAFQMMJMHX-LBPRGKRZSA-N
MW328.37 g/mol
LogP1.52
Rot. Bonds5

About 3-(4-hydroxyphenyl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide

3-(4-hydroxyphenyl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide (PubChem CID 136772131) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
PubChem CID136772131
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name3-(4-hydroxyphenyl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
SMILESCCCN1C[C@@H](NC(=O)c2cc(-c3ccc(O)cc3)n[nH]2)CC1=O
InChIInChI=1S/C17H20N4O3/c1-2-7-21-10-12(8-16(21)23)18-17(24)15-9-14(19-20-15)11-3-5-13(22)6-4-11/h3-6,9,12,22H,2,7-8,10H2,1H3,(H,18,24)(H,19,20)/t12-/m0/s1
InChIKeyBJGVLAFQMMJMHX-LBPRGKRZSA-N
XLogP1.52
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-hydroxy-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide
CID 131944350
3-acetyl-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 56911030
5-[(2-fluorophenoxy)methyl]-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide
CID 56757095
4-(6-methoxy-2-pyridinyl)-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide
CID 118767079
4-(1,3-oxazol-5-yl)-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide
CID 131949418
4-oxo-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-3H-quinazoline-2-carboxamide
CID 136776065
4-(1-ethylpyrazol-4-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide
CID 125447624
3,5-dichloro-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide
CID 72884702
5-(benzimidazol-1-ylmethyl)-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide
CID 56745517
2-[(4-fluorophenoxy)methyl]-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
CID 95204805
3-(5-amino-1-methylpyrazol-4-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide
CID 126428125
N-[(3S)-1-[3-(4-hydroxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl]acetamide
CID 136803178

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-hydroxyphenyl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide (CID 136772131) is 3-(4-hydroxyphenyl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-hydroxyphenyl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-hydroxyphenyl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide is CCCN1C[C@@H](NC(=O)c2cc(-c3ccc(O)cc3)n[nH]2)CC1=O.
What is the InChIKey of 3-(4-hydroxyphenyl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is BJGVLAFQMMJMHX-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-2-7-21-10-12(8-16(21)23)18-17(24)15-9-14(19-20-15)11-3-5-13(22)6-4-11/h3-6,9,12,22H,2,7-8,10H2,1H3,(H,18,24)(H,19,20)/t12-/m0/s1.
What are the key properties of 3-(4-hydroxyphenyl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
3-(4-hydroxyphenyl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 136772131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).