(3S)-N-(5-fluoro-2-pyrazol-1-ylphenyl)-3-hydroxypyrrolidine-1-carboxamide

C14H15FN4O2 — CID 111474707

IUPAC(3S)-N-(5-fluoro-2-pyrazol-1-ylphenyl)-3-hydroxypyrrolidine-1-carboxamide
SMILESO=C(Nc1cc(F)ccc1-n1cccn1)N1CC[C@H](O)C1
InChIInChI=1S/C14H15FN4O2/c15-10-2-3-13(19-6-1-5-16-19)12(8-10)17-14(21)18-7-4-11(20)9-18/h1-3,5-6,8,11,20H,4,7,9H2,(H,17,21)/t11-/m0/s1
InChIKeyAYMUSMFKJRYELN-NSHDSACASA-N
MW290.30 g/mol
LogP1.61
Rot. Bonds2

About (3S)-N-(5-fluoro-2-pyrazol-1-ylphenyl)-3-hydroxypyrrolidine-1-carboxamide

(3S)-N-(5-fluoro-2-pyrazol-1-ylphenyl)-3-hydroxypyrrolidine-1-carboxamide (PubChem CID 111474707) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is (3S)-N-(5-fluoro-2-pyrazol-1-ylphenyl)-3-hydroxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(5-fluoro-2-pyrazol-1-ylphenyl)-3-hydroxypyrrolidine-1-carboxamide
PubChem CID111474707
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name(3S)-N-(5-fluoro-2-pyrazol-1-ylphenyl)-3-hydroxypyrrolidine-1-carboxamide
SMILESO=C(Nc1cc(F)ccc1-n1cccn1)N1CC[C@H](O)C1
InChIInChI=1S/C14H15FN4O2/c15-10-2-3-13(19-6-1-5-16-19)12(8-10)17-14(21)18-7-4-11(20)9-18/h1-3,5-6,8,11,20H,4,7,9H2,(H,17,21)/t11-/m0/s1
InChIKeyAYMUSMFKJRYELN-NSHDSACASA-N
XLogP1.61
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(2-hydroxycyclohexyl)urea
CID 111107523
N-(5-fluoro-2-pyrazol-1-ylphenyl)-1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepine-5-carboxamide
CID 167928857
1-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122074970
N-(2-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 62917965
4-fluoro-2-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
CID 61439185
1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 86804711
1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 95615000
7-fluoro-N-(2-pyrazol-1-ylphenyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 100698464
(3S)-N-(2-ethoxy-4-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431407
N-[2-(3,5-difluorophenoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 75520270
3-(2,5-difluorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-1-carboxamide
CID 119045992
4-acetyl-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide
CID 47040881

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-fluoro-2-pyrazol-1-ylphenyl)-3-hydroxypyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-(5-fluoro-2-pyrazol-1-ylphenyl)-3-hydroxypyrrolidine-1-carboxamide (CID 111474707) is (3S)-N-(5-fluoro-2-pyrazol-1-ylphenyl)-3-hydroxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(5-fluoro-2-pyrazol-1-ylphenyl)-3-hydroxypyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-(5-fluoro-2-pyrazol-1-ylphenyl)-3-hydroxypyrrolidine-1-carboxamide is O=C(Nc1cc(F)ccc1-n1cccn1)N1CC[C@H](O)C1.
What is the InChIKey of (3S)-N-(5-fluoro-2-pyrazol-1-ylphenyl)-3-hydroxypyrrolidine-1-carboxamide?
The InChIKey is AYMUSMFKJRYELN-NSHDSACASA-N. The full InChI is InChI=1S/C14H15FN4O2/c15-10-2-3-13(19-6-1-5-16-19)12(8-10)17-14(21)18-7-4-11(20)9-18/h1-3,5-6,8,11,20H,4,7,9H2,(H,17,21)/t11-/m0/s1.
What are the key properties of (3S)-N-(5-fluoro-2-pyrazol-1-ylphenyl)-3-hydroxypyrrolidine-1-carboxamide?
(3S)-N-(5-fluoro-2-pyrazol-1-ylphenyl)-3-hydroxypyrrolidine-1-carboxamide has a molecular weight of 290.30 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(5-fluoro-2-pyrazol-1-ylphenyl)-3-hydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 111474707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).