N-[(3S)-1-[3-(4-hydroxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl]acetamide

C16H18N4O3 — CID 136803178

IUPACN-[(3S)-1-[3-(4-hydroxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCN(C(=O)c2cc(-c3ccc(O)cc3)n[nH]2)C1
InChIInChI=1S/C16H18N4O3/c1-10(21)17-12-6-7-20(9-12)16(23)15-8-14(18-19-15)11-2-4-13(22)5-3-11/h2-5,8,12,22H,6-7,9H2,1H3,(H,17,21)(H,18,19)/t12-/m0/s1
InChIKeyUSOWUJIUWNDNBX-LBPRGKRZSA-N
MW314.34 g/mol
LogP1.13
Rot. Bonds3

About N-[(3S)-1-[3-(4-hydroxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl]acetamide

N-[(3S)-1-[3-(4-hydroxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl]acetamide (PubChem CID 136803178) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[(3S)-1-[3-(4-hydroxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[3-(4-hydroxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl]acetamide
PubChem CID136803178
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC NameN-[(3S)-1-[3-(4-hydroxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCN(C(=O)c2cc(-c3ccc(O)cc3)n[nH]2)C1
InChIInChI=1S/C16H18N4O3/c1-10(21)17-12-6-7-20(9-12)16(23)15-8-14(18-19-15)11-2-4-13(22)5-3-11/h2-5,8,12,22H,6-7,9H2,1H3,(H,17,21)(H,18,19)/t12-/m0/s1
InChIKeyUSOWUJIUWNDNBX-LBPRGKRZSA-N
XLogP1.13
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 119409300
3,9-diazabicyclo[4.2.1]nonan-3-yl-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone;hydrochloride
CID 119635571
[(3S)-3-hydroxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 79031682
1-(3-phenyl-1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63031096
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 119483328
N-[1-[2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carbonyl]pyrrolidin-3-yl]acetamide
CID 72940598
[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 136883827
[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538857
[(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 27258020
[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 125135480
N-(1-methylpiperidin-4-yl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 163295106
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111434218

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[3-(4-hydroxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-[3-(4-hydroxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl]acetamide (CID 136803178) is N-[(3S)-1-[3-(4-hydroxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-[3-(4-hydroxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-[3-(4-hydroxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl]acetamide is CC(=O)N[C@H]1CCN(C(=O)c2cc(-c3ccc(O)cc3)n[nH]2)C1.
What is the InChIKey of N-[(3S)-1-[3-(4-hydroxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl]acetamide?
The InChIKey is USOWUJIUWNDNBX-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-10(21)17-12-6-7-20(9-12)16(23)15-8-14(18-19-15)11-2-4-13(22)5-3-11/h2-5,8,12,22H,6-7,9H2,1H3,(H,17,21)(H,18,19)/t12-/m0/s1.
What are the key properties of N-[(3S)-1-[3-(4-hydroxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl]acetamide?
N-[(3S)-1-[3-(4-hydroxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl]acetamide has a molecular weight of 314.34 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[3-(4-hydroxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 136803178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).