2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylpentanamide;hydrochloride

C17H24ClFN4O — CID 119806251

IUPAC2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCCc1ccn(-c2ccc(F)cc2)n1.Cl
InChIInChI=1S/C17H23FN4O.ClH/c1-3-10-17(2,19)16(23)20-11-8-14-9-12-22(21-14)15-6-4-13(18)5-7-15;/h4-7,9,12H,3,8,10-11,19H2,1-2H3,(H,20,23);1H
InChIKeyIUPYDOPDVPROLN-UHFFFAOYSA-N
MW354.86 g/mol
LogP2.61
Rot. Bonds7

About 2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylpentanamide;hydrochloride

2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylpentanamide;hydrochloride (PubChem CID 119806251) has the molecular formula C17H24ClFN4O and a molecular weight of 354.86 g/mol. Its IUPAC name is 2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylpentanamide;hydrochloride
PubChem CID119806251
Molecular FormulaC17H24ClFN4O
Molecular Weight354.86 g/mol
Exact Mass354.16
IUPAC Name2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCCc1ccn(-c2ccc(F)cc2)n1.Cl
InChIInChI=1S/C17H23FN4O.ClH/c1-3-10-17(2,19)16(23)20-11-8-14-9-12-22(21-14)15-6-4-13(18)5-7-15;/h4-7,9,12H,3,8,10-11,19H2,1-2H3,(H,20,23);1H
InChIKeyIUPYDOPDVPROLN-UHFFFAOYSA-N
XLogP2.61
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 52.61
H-Bond Donors ≤ 52
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
2-amino-N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 60847510
1-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111512857
N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperidine-4-carboxamide
CID 119336460
N-tert-butyl-2-[[ethylamino-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethylamino]methylidene]amino]acetamide;hydroiodide
CID 111518750
2-amino-2-methyl-N-(2-pyridin-2-ylethyl)pentanamide
CID 60846982
N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 146132786
2-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1,3-thiazole-5-carboxamide
CID 167789997
2-fluoro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-4-methylbenzamide
CID 146128415
(2R,3S)-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120935409
2-amino-N-[2-(2-fluorophenyl)ethyl]-2-methylpentanamide;hydrochloride
CID 119688573
3-chloro-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5-methoxybenzamide
CID 146123423

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylpentanamide;hydrochloride (CID 119806251) is 2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylpentanamide;hydrochloride is CCCC(C)(N)C(=O)NCCc1ccn(-c2ccc(F)cc2)n1.Cl.
What is the InChIKey of 2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylpentanamide;hydrochloride?
The InChIKey is IUPYDOPDVPROLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O.ClH/c1-3-10-17(2,19)16(23)20-11-8-14-9-12-22(21-14)15-6-4-13(18)5-7-15;/h4-7,9,12H,3,8,10-11,19H2,1-2H3,(H,20,23);1H.
What are the key properties of 2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylpentanamide;hydrochloride?
2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylpentanamide;hydrochloride has a molecular weight of 354.86 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-methylpentanamide;hydrochloride is sourced from PubChem (CID 119806251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).