(2R)-2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]propanamide

C14H17FN4O — CID 119336468

IUPAC(2R)-2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]propanamide
SMILESC[C@@H](N)C(=O)NCCc1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H17FN4O/c1-10(16)14(20)17-8-6-12-7-9-19(18-12)13-4-2-11(15)3-5-13/h2-5,7,9-10H,6,8,16H2,1H3,(H,17,20)/t10-/m1/s1
InChIKeyJMYKFZLUMPGVNZ-SNVBAGLBSA-N
MW276.32 g/mol
LogP1.02
Rot. Bonds5

About (2R)-2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]propanamide

(2R)-2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]propanamide (PubChem CID 119336468) has the molecular formula C14H17FN4O and a molecular weight of 276.32 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]propanamide
PubChem CID119336468
Molecular FormulaC14H17FN4O
Molecular Weight276.32 g/mol
Exact Mass276.14
IUPAC Name(2R)-2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]propanamide
SMILESC[C@@H](N)C(=O)NCCc1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H17FN4O/c1-10(16)14(20)17-8-6-12-7-9-19(18-12)13-4-2-11(15)3-5-13/h2-5,7,9-10H,6,8,16H2,1H3,(H,17,20)/t10-/m1/s1
InChIKeyJMYKFZLUMPGVNZ-SNVBAGLBSA-N
XLogP1.02
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylpentanamide;hydrochloride
CID 119806251
(2S)-2-cyclopropyl-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-pyrrolidin-1-ylacetamide
CID 97306222
1-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 111494869
2-fluoro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-4-methylbenzamide
CID 146128415
N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperidine-4-carboxamide
CID 119336460
(2R)-2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]propanamide;hydrochloride
CID 119302651
1-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111512857
2-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1,3-thiazole-5-carboxamide
CID 167789997
1-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methyl-3-(2-methylsulfanylethyl)guanidine
CID 111516473
3-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methoxybenzamide
CID 146123423
N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 146132786
(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 (2R)-2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]propanamide (CID 119336468) is (2R)-2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]propanamide is C[C@@H](N)C(=O)NCCc1ccn(-c2ccc(F)cc2)n1.
What is the InChIKey of (2R)-2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]propanamide?
The InChIKey is JMYKFZLUMPGVNZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-10(16)14(20)17-8-6-12-7-9-19(18-12)13-4-2-11(15)3-5-13/h2-5,7,9-10H,6,8,16H2,1H3,(H,17,20)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]propanamide?
(2R)-2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]propanamide has a molecular weight of 276.32 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]propanamide is sourced from PubChem (CID 119336468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).