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

C18H27ClN4O2 — CID 119658474

IUPACN-(3-amino-4-methylpentyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride
SMILESCOc1ccc(-c2[nH]ncc2C(=O)N(C)CCC(N)C(C)C)cc1.Cl
InChIInChI=1S/C18H26N4O2.ClH/c1-12(2)16(19)9-10-22(3)18(23)15-11-20-21-17(15)13-5-7-14(24-4)8-6-13;/h5-8,11-12,16H,9-10,19H2,1-4H3,(H,20,21);1H
InChIKeyWNQBFUUOEPFFCE-UHFFFAOYSA-N
MW366.89 g/mol
LogP2.95
Rot. Bonds7

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

N-(3-amino-4-methylpentyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride (PubChem CID 119658474) has the molecular formula C18H27ClN4O2 and a molecular weight of 366.89 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride
PubChem CID119658474
Molecular FormulaC18H27ClN4O2
Molecular Weight366.89 g/mol
Exact Mass366.18
IUPAC NameN-(3-amino-4-methylpentyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride
SMILESCOc1ccc(-c2[nH]ncc2C(=O)N(C)CCC(N)C(C)C)cc1.Cl
InChIInChI=1S/C18H26N4O2.ClH/c1-12(2)16(19)9-10-22(3)18(23)15-11-20-21-17(15)13-5-7-14(24-4)8-6-13;/h5-8,11-12,16H,9-10,19H2,1-4H3,(H,20,21);1H
InChIKeyWNQBFUUOEPFFCE-UHFFFAOYSA-N
XLogP2.95
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride
CID 119653733
5-(4-methoxyphenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1H-pyrazole-4-carboxamide
CID 78834288
N-(3-amino-4-methylpentyl)-5-methoxy-N-methyl-2-nitrobenzamide;hydrochloride
CID 119657897
N-(3-amino-4-methylpentyl)-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide;hydrochloride
CID 119659742
N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N,5-dimethylthiophene-2-carboxamide;hydrochloride
CID 119657241
N-(3-amino-4-methylpentyl)-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide
CID 119659743
5-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 78834249
N-(3-amino-4-methylpentyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 119658630
N-(3-aminopropyl)-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide;hydrochloride
CID 119405997
N-(3-amino-4-methylpentyl)-6-methoxy-N-methyl-2H-chromene-3-carboxamide;hydrochloride
CID 119658659
methyl 5-[[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 78834055
2-fluoroethyl 5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate
CID 75523916

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride (CID 119658474) is N-(3-amino-4-methylpentyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride is COc1ccc(-c2[nH]ncc2C(=O)N(C)CCC(N)C(C)C)cc1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride?
The InChIKey is WNQBFUUOEPFFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2.ClH/c1-12(2)16(19)9-10-22(3)18(23)15-11-20-21-17(15)13-5-7-14(24-4)8-6-13;/h5-8,11-12,16H,9-10,19H2,1-4H3,(H,20,21);1H.
What are the key properties of N-(3-amino-4-methylpentyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride?
N-(3-amino-4-methylpentyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride has a molecular weight of 366.89 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119658474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).