N-(3-amino-4-methylpentyl)-5-tert-butyl-N-methyl-1H-pyrazole-3-carboxamide;hydrochloride

C15H29ClN4O — CID 119660642

IUPACN-(3-amino-4-methylpentyl)-5-tert-butyl-N-methyl-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1cc(C(C)(C)C)[nH]n1.Cl
InChIInChI=1S/C15H28N4O.ClH/c1-10(2)11(16)7-8-19(6)14(20)12-9-13(18-17-12)15(3,4)5;/h9-11H,7-8,16H2,1-6H3,(H,17,18);1H
InChIKeyBFPYMFITUOJXRL-UHFFFAOYSA-N
MW316.88 g/mol
LogP2.57
Rot. Bonds5

About N-(3-amino-4-methylpentyl)-5-tert-butyl-N-methyl-1H-pyrazole-3-carboxamide;hydrochloride

N-(3-amino-4-methylpentyl)-5-tert-butyl-N-methyl-1H-pyrazole-3-carboxamide;hydrochloride (PubChem CID 119660642) has the molecular formula C15H29ClN4O and a molecular weight of 316.88 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-5-tert-butyl-N-methyl-1H-pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-5-tert-butyl-N-methyl-1H-pyrazole-3-carboxamide;hydrochloride
PubChem CID119660642
Molecular FormulaC15H29ClN4O
Molecular Weight316.88 g/mol
Exact Mass316.20
IUPAC NameN-(3-amino-4-methylpentyl)-5-tert-butyl-N-methyl-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1cc(C(C)(C)C)[nH]n1.Cl
InChIInChI=1S/C15H28N4O.ClH/c1-10(2)11(16)7-8-19(6)14(20)12-9-13(18-17-12)15(3,4)5;/h9-11H,7-8,16H2,1-6H3,(H,17,18);1H
InChIKeyBFPYMFITUOJXRL-UHFFFAOYSA-N
XLogP2.57
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.88
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-5-tert-butyl-N-methyl-1H-pyrazole-3-carboxamide
CID 119584562
N-(3-amino-4-methylpentyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 119658630
N-(3-amino-4-methylpentyl)-4-tert-butyl-N-methylthiadiazole-5-carboxamide
CID 115317522
N-(3-amino-4-methylpentyl)-N-methyl-6-oxo-1H-pyrazine-3-carboxamide
CID 115317414
N-(3-amino-4-methylpentyl)-3,5-dihydroxy-N-methylbenzamide
CID 107705211
N-(3-amino-4-methylpentyl)-3-(4-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 119657391
N-(2-aminopropyl)-5-tert-butyl-1H-pyrazole-3-carboxamide
CID 110833128
N-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride
CID 119658927
3-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 119190641
N-(3-amino-4-methylpentyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119660821
N-(3-amino-4-methylpentyl)-N-methyl-1H-indazole-3-carboxamide
CID 81484244
N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide
CID 81484690

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-5-tert-butyl-N-methyl-1H-pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-5-tert-butyl-N-methyl-1H-pyrazole-3-carboxamide;hydrochloride (CID 119660642) is N-(3-amino-4-methylpentyl)-5-tert-butyl-N-methyl-1H-pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-5-tert-butyl-N-methyl-1H-pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-5-tert-butyl-N-methyl-1H-pyrazole-3-carboxamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)c1cc(C(C)(C)C)[nH]n1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-5-tert-butyl-N-methyl-1H-pyrazole-3-carboxamide;hydrochloride?
The InChIKey is BFPYMFITUOJXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O.ClH/c1-10(2)11(16)7-8-19(6)14(20)12-9-13(18-17-12)15(3,4)5;/h9-11H,7-8,16H2,1-6H3,(H,17,18);1H.
What are the key properties of N-(3-amino-4-methylpentyl)-5-tert-butyl-N-methyl-1H-pyrazole-3-carboxamide;hydrochloride?
N-(3-amino-4-methylpentyl)-5-tert-butyl-N-methyl-1H-pyrazole-3-carboxamide;hydrochloride has a molecular weight of 316.88 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-5-tert-butyl-N-methyl-1H-pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119660642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).