N-(3-amino-4-methylpentyl)-1-(3-bromophenyl)-N-methylpyrazole-3-carboxamide;hydrochloride

C17H24BrClN4O — CID 119661346

IUPACN-(3-amino-4-methylpentyl)-1-(3-bromophenyl)-N-methylpyrazole-3-carboxamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1ccn(-c2cccc(Br)c2)n1.Cl
InChIInChI=1S/C17H23BrN4O.ClH/c1-12(2)15(19)7-9-21(3)17(23)16-8-10-22(20-16)14-6-4-5-13(18)11-14;/h4-6,8,10-12,15H,7,9,19H2,1-3H3;1H
InChIKeyVMRUSRMANFGFNY-UHFFFAOYSA-N
MW415.76 g/mol
LogP3.50
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-1-(3-bromophenyl)-N-methylpyrazole-3-carboxamide;hydrochloride

N-(3-amino-4-methylpentyl)-1-(3-bromophenyl)-N-methylpyrazole-3-carboxamide;hydrochloride (PubChem CID 119661346) has the molecular formula C17H24BrClN4O and a molecular weight of 415.76 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-1-(3-bromophenyl)-N-methylpyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-1-(3-bromophenyl)-N-methylpyrazole-3-carboxamide;hydrochloride
PubChem CID119661346
Molecular FormulaC17H24BrClN4O
Molecular Weight415.76 g/mol
Exact Mass414.08
IUPAC NameN-(3-amino-4-methylpentyl)-1-(3-bromophenyl)-N-methylpyrazole-3-carboxamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1ccn(-c2cccc(Br)c2)n1.Cl
InChIInChI=1S/C17H23BrN4O.ClH/c1-12(2)15(19)7-9-21(3)17(23)16-8-10-22(20-16)14-6-4-5-13(18)11-14;/h4-6,8,10-12,15H,7,9,19H2,1-3H3;1H
InChIKeyVMRUSRMANFGFNY-UHFFFAOYSA-N
XLogP3.50
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.76
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119955221
3-N-(3-amino-4-methylpentyl)-3-N-methyl-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride
CID 119659251
1-(3-bromophenyl)-N-[3-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride
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CID 119658376
2-[[1-(3-bromophenyl)pyrazole-3-carbonyl]-(2-methoxyethyl)amino]acetic acid
CID 119189688
[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[1-(3-bromophenyl)pyrazol-3-yl]methanone
CID 125135425
3-[methyl-(1-phenylpyrazole-3-carbonyl)amino]propanoic acid
CID 60988552
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1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide
CID 119554751
N-(3-amino-4-methylpentyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride
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N-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)pyrazole-3-carboxamide
CID 119617805

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-1-(3-bromophenyl)-N-methylpyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-1-(3-bromophenyl)-N-methylpyrazole-3-carboxamide;hydrochloride (CID 119661346) is N-(3-amino-4-methylpentyl)-1-(3-bromophenyl)-N-methylpyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-1-(3-bromophenyl)-N-methylpyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-1-(3-bromophenyl)-N-methylpyrazole-3-carboxamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)c1ccn(-c2cccc(Br)c2)n1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-1-(3-bromophenyl)-N-methylpyrazole-3-carboxamide;hydrochloride?
The InChIKey is VMRUSRMANFGFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN4O.ClH/c1-12(2)15(19)7-9-21(3)17(23)16-8-10-22(20-16)14-6-4-5-13(18)11-14;/h4-6,8,10-12,15H,7,9,19H2,1-3H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-1-(3-bromophenyl)-N-methylpyrazole-3-carboxamide;hydrochloride?
N-(3-amino-4-methylpentyl)-1-(3-bromophenyl)-N-methylpyrazole-3-carboxamide;hydrochloride has a molecular weight of 415.76 g/mol, XLogP of 3.50, 6 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-(3-bromophenyl)-N-methylpyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119661346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).