N-(3-amino-4-methylpentyl)-1-benzyl-5-ethyl-N-methylpyrazole-4-carboxamide;hydrochloride

C20H31ClN4O — CID 119659628

IUPACN-(3-amino-4-methylpentyl)-1-benzyl-5-ethyl-N-methylpyrazole-4-carboxamide;hydrochloride
SMILESCCc1c(C(=O)N(C)CCC(N)C(C)C)cnn1Cc1ccccc1.Cl
InChIInChI=1S/C20H30N4O.ClH/c1-5-19-17(20(25)23(4)12-11-18(21)15(2)3)13-22-24(19)14-16-9-7-6-8-10-16;/h6-10,13,15,18H,5,11-12,14,21H2,1-4H3;1H
InChIKeyYRRSJTAUFUIENC-UHFFFAOYSA-N
MW378.95 g/mol
LogP3.36
Rot. Bonds8

About N-(3-amino-4-methylpentyl)-1-benzyl-5-ethyl-N-methylpyrazole-4-carboxamide;hydrochloride

N-(3-amino-4-methylpentyl)-1-benzyl-5-ethyl-N-methylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119659628) has the molecular formula C20H31ClN4O and a molecular weight of 378.95 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-1-benzyl-5-ethyl-N-methylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-1-benzyl-5-ethyl-N-methylpyrazole-4-carboxamide;hydrochloride
PubChem CID119659628
Molecular FormulaC20H31ClN4O
Molecular Weight378.95 g/mol
Exact Mass378.22
IUPAC NameN-(3-amino-4-methylpentyl)-1-benzyl-5-ethyl-N-methylpyrazole-4-carboxamide;hydrochloride
SMILESCCc1c(C(=O)N(C)CCC(N)C(C)C)cnn1Cc1ccccc1.Cl
InChIInChI=1S/C20H30N4O.ClH/c1-5-19-17(20(25)23(4)12-11-18(21)15(2)3)13-22-24(19)14-16-9-7-6-8-10-16;/h6-10,13,15,18H,5,11-12,14,21H2,1-4H3;1H
InChIKeyYRRSJTAUFUIENC-UHFFFAOYSA-N
XLogP3.36
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.95
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-dibenzyl-5-ethyl-N-methylpyrazole-4-carboxamide
CID 78874071
1-benzyl-5-ethyl-N-methyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 78872749
N-(3-amino-4-methylpentyl)-N-methyl-2-methylsulfanylbenzamide;hydrochloride
CID 119658400
N-(3-amino-4-methylpentyl)-2-benzyl-N-methylbenzamide
CID 119659415
2-[(1-benzyl-5-ethylpyrazole-4-carbonyl)-ethylamino]acetic acid
CID 120519737
N-(3-amino-4-methylpentyl)-2-bromo-N-methylbenzamide;hydrochloride
CID 119658345
2-acetyl-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 119657379
N-(3-amino-4-methylpentyl)-2-(methanesulfonamido)-N-methylbenzamide;hydrochloride
CID 119657352
N-(3-amino-4-methylpentyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 119659284
N-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride
CID 119657274
N-(1-aminopropan-2-yl)-1-benzyl-N,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119584582
N-(3-amino-4-methylpentyl)-1-(2-fluorophenyl)-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride
CID 119661216

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-1-benzyl-5-ethyl-N-methylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-1-benzyl-5-ethyl-N-methylpyrazole-4-carboxamide;hydrochloride (CID 119659628) is N-(3-amino-4-methylpentyl)-1-benzyl-5-ethyl-N-methylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-1-benzyl-5-ethyl-N-methylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-1-benzyl-5-ethyl-N-methylpyrazole-4-carboxamide;hydrochloride is CCc1c(C(=O)N(C)CCC(N)C(C)C)cnn1Cc1ccccc1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-1-benzyl-5-ethyl-N-methylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is YRRSJTAUFUIENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O.ClH/c1-5-19-17(20(25)23(4)12-11-18(21)15(2)3)13-22-24(19)14-16-9-7-6-8-10-16;/h6-10,13,15,18H,5,11-12,14,21H2,1-4H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-1-benzyl-5-ethyl-N-methylpyrazole-4-carboxamide;hydrochloride?
N-(3-amino-4-methylpentyl)-1-benzyl-5-ethyl-N-methylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 378.95 g/mol, XLogP of 3.36, 8 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-benzyl-5-ethyl-N-methylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119659628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).