3-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]cyclopentane-1-carboxamide;hydrochloride

C17H22ClFN4O — CID 119731520

IUPAC3-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCc1cc(C)n(-c2ccc(NC(=O)C3CCC(N)C3)cc2F)n1.Cl
InChIInChI=1S/C17H21FN4O.ClH/c1-10-7-11(2)22(21-10)16-6-5-14(9-15(16)18)20-17(23)12-3-4-13(19)8-12;/h5-7,9,12-13H,3-4,8,19H2,1-2H3,(H,20,23);1H
InChIKeyIIZPANZGUHRBOD-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.12
Rot. Bonds3

About 3-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119731520) has the molecular formula C17H22ClFN4O and a molecular weight of 352.84 g/mol. Its IUPAC name is 3-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119731520
Molecular FormulaC17H22ClFN4O
Molecular Weight352.84 g/mol
Exact Mass352.15
IUPAC Name3-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCc1cc(C)n(-c2ccc(NC(=O)C3CCC(N)C3)cc2F)n1.Cl
InChIInChI=1S/C17H21FN4O.ClH/c1-10-7-11(2)22(21-10)16-6-5-14(9-15(16)18)20-17(23)12-3-4-13(19)8-12;/h5-7,9,12-13H,3-4,8,19H2,1-2H3,(H,20,23);1H
InChIKeyIIZPANZGUHRBOD-UHFFFAOYSA-N
XLogP3.12
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3-methyl-4-oxocyclohexane-1-carboxamide
CID 127691444
3-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclopentane-1-carboxamide
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cis-(1R,3S)-3-amino-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide
CID 133116598
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]acetamide
CID 119731535
3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670627
3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]cyclopentane-1-carboxamide
CID 119812807
3-amino-N-(3-fluoro-4-imidazol-1-ylphenyl)cyclohexane-1-carboxamide
CID 119860256
1-cyclopropyl-3-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-1-(2-hydroxyethyl)urea
CID 110896865
1-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102136
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]piperidine-4-carboxamide
CID 55817763
3-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119709839
3-amino-N-(4-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]cyclopentane-1-carboxamide;hydrochloride (CID 119731520) is 3-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]cyclopentane-1-carboxamide;hydrochloride is Cc1cc(C)n(-c2ccc(NC(=O)C3CCC(N)C3)cc2F)n1.Cl.
What is the InChIKey of 3-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is IIZPANZGUHRBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O.ClH/c1-10-7-11(2)22(21-10)16-6-5-14(9-15(16)18)20-17(23)12-3-4-13(19)8-12;/h5-7,9,12-13H,3-4,8,19H2,1-2H3,(H,20,23);1H.
What are the key properties of 3-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 352.84 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119731520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).