(2S)-2-cyclopropyl-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-pyrrolidin-1-ylacetamide

C20H25FN4O — CID 97306222

IUPAC(2S)-2-cyclopropyl-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(NCCc1ccn(-c2ccc(F)cc2)n1)[C@H](C1CC1)N1CCCC1
InChIInChI=1S/C20H25FN4O/c21-16-5-7-18(8-6-16)25-14-10-17(23-25)9-11-22-20(26)19(15-3-4-15)24-12-1-2-13-24/h5-8,10,14-15,19H,1-4,9,11-13H2,(H,22,26)/t19-/m0/s1
InChIKeyGPYYIIUMONPHSZ-IBGZPJMESA-N
MW356.44 g/mol
LogP2.54
Rot. Bonds7

About (2S)-2-cyclopropyl-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-pyrrolidin-1-ylacetamide

(2S)-2-cyclopropyl-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 97306222) has the molecular formula C20H25FN4O and a molecular weight of 356.44 g/mol. Its IUPAC name is (2S)-2-cyclopropyl-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound Name(2S)-2-cyclopropyl-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-pyrrolidin-1-ylacetamide
PubChem CID97306222
Molecular FormulaC20H25FN4O
Molecular Weight356.44 g/mol
Exact Mass356.20
IUPAC Name(2S)-2-cyclopropyl-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(NCCc1ccn(-c2ccc(F)cc2)n1)[C@H](C1CC1)N1CCCC1
InChIInChI=1S/C20H25FN4O/c21-16-5-7-18(8-6-16)25-14-10-17(23-25)9-11-22-20(26)19(15-3-4-15)24-12-1-2-13-24/h5-8,10,14-15,19H,1-4,9,11-13H2,(H,22,26)/t19-/m0/s1
InChIKeyGPYYIIUMONPHSZ-IBGZPJMESA-N
XLogP2.54
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]propanamide
CID 119336468
N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperidine-4-carboxamide
CID 119336460
methyl 1-[N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111513475
1-cyclopentyl-3-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylguanidine;hydroiodide
CID 111495773
(1S)-1-cyclopropyl-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylsulfonylethanamine
CID 100620309
1-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 111494869
1-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111512857
2-fluoro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-4-methylbenzamide
CID 146128415
2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylpentanamide;hydrochloride
CID 119806251
N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119806208
1-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
CID 111513554
(2R,3S)-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120935409

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopropyl-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of (2S)-2-cyclopropyl-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-pyrrolidin-1-ylacetamide (CID 97306222) is (2S)-2-cyclopropyl-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for (2S)-2-cyclopropyl-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for (2S)-2-cyclopropyl-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-pyrrolidin-1-ylacetamide is O=C(NCCc1ccn(-c2ccc(F)cc2)n1)[C@H](C1CC1)N1CCCC1.
What is the InChIKey of (2S)-2-cyclopropyl-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is GPYYIIUMONPHSZ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25FN4O/c21-16-5-7-18(8-6-16)25-14-10-17(23-25)9-11-22-20(26)19(15-3-4-15)24-12-1-2-13-24/h5-8,10,14-15,19H,1-4,9,11-13H2,(H,22,26)/t19-/m0/s1.
What are the key properties of (2S)-2-cyclopropyl-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-pyrrolidin-1-ylacetamide?
(2S)-2-cyclopropyl-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 356.44 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopropyl-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 97306222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).