N-(3-amino-4-methylpentyl)-1-(4-fluorophenyl)-N-methyl-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride

C20H30ClFN4O — CID 119659165

IUPACN-(3-amino-4-methylpentyl)-1-(4-fluorophenyl)-N-methyl-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
SMILESCC(C)c1c(C(=O)N(C)CCC(N)C(C)C)cnn1-c1ccc(F)cc1.Cl
InChIInChI=1S/C20H29FN4O.ClH/c1-13(2)18(22)10-11-24(5)20(26)17-12-23-25(19(17)14(3)4)16-8-6-15(21)7-9-16;/h6-9,12-14,18H,10-11,22H2,1-5H3;1H
InChIKeyYMABTDXYFOCADY-UHFFFAOYSA-N
MW396.94 g/mol
LogP4.00
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-1-(4-fluorophenyl)-N-methyl-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride

N-(3-amino-4-methylpentyl)-1-(4-fluorophenyl)-N-methyl-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119659165) has the molecular formula C20H30ClFN4O and a molecular weight of 396.94 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-1-(4-fluorophenyl)-N-methyl-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-1-(4-fluorophenyl)-N-methyl-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
PubChem CID119659165
Molecular FormulaC20H30ClFN4O
Molecular Weight396.94 g/mol
Exact Mass396.21
IUPAC NameN-(3-amino-4-methylpentyl)-1-(4-fluorophenyl)-N-methyl-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
SMILESCC(C)c1c(C(=O)N(C)CCC(N)C(C)C)cnn1-c1ccc(F)cc1.Cl
InChIInChI=1S/C20H29FN4O.ClH/c1-13(2)18(22)10-11-24(5)20(26)17-12-23-25(19(17)14(3)4)16-8-6-15(21)7-9-16;/h6-9,12-14,18H,10-11,22H2,1-5H3;1H
InChIKeyYMABTDXYFOCADY-UHFFFAOYSA-N
XLogP4.00
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.94
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]-methylamino]butanoic acid
CID 119172739
N-(3-amino-4-methylpentyl)-N-methyl-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 119660528
N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide
CID 81484690
N-(3-amino-4-methylpentyl)-2,5-difluoro-N-methylbenzamide;hydrochloride
CID 119658393
1-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methyl-5-propan-2-ylpyrazole-4-carboxamide
CID 110885932
N-(3-amino-4-methylpentyl)-1-(2-fluorophenyl)-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride
CID 119661216
5-[[[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119221926
N-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-1H-pyrrole-3-carboxamide
CID 119660333
N-[(3S)-3-amino-4-methylpentyl]-6-fluoro-N-methylnaphthalene-1-carboxamide;hydrochloride
CID 170898691
N-(3-amino-4-methylpentyl)-2-(4-fluorophenoxy)-N-methylacetamide;hydrochloride
CID 119657243
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
CID 119652642
N-(3-amino-4-methylpentyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 119659284

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-1-(4-fluorophenyl)-N-methyl-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-1-(4-fluorophenyl)-N-methyl-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride (CID 119659165) is N-(3-amino-4-methylpentyl)-1-(4-fluorophenyl)-N-methyl-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-1-(4-fluorophenyl)-N-methyl-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-1-(4-fluorophenyl)-N-methyl-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride is CC(C)c1c(C(=O)N(C)CCC(N)C(C)C)cnn1-c1ccc(F)cc1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-1-(4-fluorophenyl)-N-methyl-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is YMABTDXYFOCADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN4O.ClH/c1-13(2)18(22)10-11-24(5)20(26)17-12-23-25(19(17)14(3)4)16-8-6-15(21)7-9-16;/h6-9,12-14,18H,10-11,22H2,1-5H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-1-(4-fluorophenyl)-N-methyl-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride?
N-(3-amino-4-methylpentyl)-1-(4-fluorophenyl)-N-methyl-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 396.94 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-1-(4-fluorophenyl)-N-methyl-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119659165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).