N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride

C18H26Cl2N4O — CID 119598750

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC(C)(CN)CC(C)C)cnn1-c1cccc(Cl)c1.Cl
InChIInChI=1S/C18H25ClN4O.ClH/c1-12(2)9-18(4,11-20)22-17(24)16-10-21-23(13(16)3)15-7-5-6-14(19)8-15;/h5-8,10,12H,9,11,20H2,1-4H3,(H,22,24);1H
InChIKeyTVNLXYRVJSFGPL-UHFFFAOYSA-N
MW385.34 g/mol
LogP3.75
Rot. Bonds6

About N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119598750) has the molecular formula C18H26Cl2N4O and a molecular weight of 385.34 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride
PubChem CID119598750
Molecular FormulaC18H26Cl2N4O
Molecular Weight385.34 g/mol
Exact Mass384.15
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC(C)(CN)CC(C)C)cnn1-c1cccc(Cl)c1.Cl
InChIInChI=1S/C18H25ClN4O.ClH/c1-12(2)9-18(4,11-20)22-17(24)16-10-21-23(13(16)3)15-7-5-6-14(19)8-15;/h5-8,10,12H,9,11,20H2,1-4H3,(H,22,24);1H
InChIKeyTVNLXYRVJSFGPL-UHFFFAOYSA-N
XLogP3.75
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 119599457
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119599531
2-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2-methylbutanoic acid
CID 119199529
N-(3-amino-2-methylpropyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 119997822
1-(3-chlorophenyl)-N-(2-hydroxypropyl)-5-methylpyrazole-4-carboxamide
CID 78855753
4-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 119204342
N-[1-(aminomethyl)cyclopentyl]-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119566491
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-bromophenyl)-5-methyltriazole-4-carboxamide;hydrochloride
CID 119597999
2-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]butanoic acid
CID 119223906
N-(1-amino-2,4-dimethylpentan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;hydrochloride
CID 119597666
N-[2-(aminomethyl)cyclopentyl]-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 119602696
1-(3-chlorophenyl)-N,5-dimethyl-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 134059030

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride (CID 119598750) is N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride is Cc1c(C(=O)NC(C)(CN)CC(C)C)cnn1-c1cccc(Cl)c1.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is TVNLXYRVJSFGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O.ClH/c1-12(2)9-18(4,11-20)22-17(24)16-10-21-23(13(16)3)15-7-5-6-14(19)8-15;/h5-8,10,12H,9,11,20H2,1-4H3,(H,22,24);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 385.34 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119598750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).