7-amino-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]heptanamide;hydrochloride

C17H24ClFN4O — CID 119680110

IUPAC7-amino-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]heptanamide;hydrochloride
SMILESCc1cc(NC(=O)CCCCCCN)n(-c2ccc(F)cc2)n1.Cl
InChIInChI=1S/C17H23FN4O.ClH/c1-13-12-16(20-17(23)6-4-2-3-5-11-19)22(21-13)15-9-7-14(18)8-10-15;/h7-10,12H,2-6,11,19H2,1H3,(H,20,23);1H
InChIKeyNBEVIBYSFJTTMX-UHFFFAOYSA-N
MW354.86 g/mol
LogP3.59
Rot. Bonds8

About 7-amino-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]heptanamide;hydrochloride

7-amino-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]heptanamide;hydrochloride (PubChem CID 119680110) has the molecular formula C17H24ClFN4O and a molecular weight of 354.86 g/mol. Its IUPAC name is 7-amino-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]heptanamide;hydrochloride
PubChem CID119680110
Molecular FormulaC17H24ClFN4O
Molecular Weight354.86 g/mol
Exact Mass354.16
IUPAC Name7-amino-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]heptanamide;hydrochloride
SMILESCc1cc(NC(=O)CCCCCCN)n(-c2ccc(F)cc2)n1.Cl
InChIInChI=1S/C17H23FN4O.ClH/c1-13-12-16(20-17(23)6-4-2-3-5-11-19)22(21-13)15-9-7-14(18)8-10-15;/h7-10,12H,2-6,11,19H2,1H3,(H,20,23);1H
InChIKeyNBEVIBYSFJTTMX-UHFFFAOYSA-N
XLogP3.59
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[4-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-4-oxobutyl]benzamide
CID 112805744
6-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]hexanamide
CID 136967091
3-(3-fluoro-4-methoxyphenyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide
CID 112805936
3-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide
CID 112816929
4-(4-ethoxyphenyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-oxobutanamide
CID 112805758
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-methylbutanamide
CID 45153613
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;hydrochloride
CID 119680128
2-(4-fluorophenyl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 7228912
2-amino-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]pentanamide
CID 119266330
[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 3-phenoxypropanoate
CID 24570195
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide
CID 112807675
7-amino-N-(4-fluoro-2-methylphenyl)heptanamide;hydrochloride
CID 119679598

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]heptanamide;hydrochloride (CID 119680110) is 7-amino-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]heptanamide;hydrochloride is Cc1cc(NC(=O)CCCCCCN)n(-c2ccc(F)cc2)n1.Cl.
What is the InChIKey of 7-amino-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]heptanamide;hydrochloride?
The InChIKey is NBEVIBYSFJTTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O.ClH/c1-13-12-16(20-17(23)6-4-2-3-5-11-19)22(21-13)15-9-7-14(18)8-10-15;/h7-10,12H,2-6,11,19H2,1H3,(H,20,23);1H.
What are the key properties of 7-amino-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]heptanamide;hydrochloride?
7-amino-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]heptanamide;hydrochloride has a molecular weight of 354.86 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]heptanamide;hydrochloride is sourced from PubChem (CID 119680110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).