N-(1-aminopropan-2-yl)-1-(3,4-dichlorophenyl)-N-methylpyrazole-3-carboxamide;hydrochloride

C14H17Cl3N4O — CID 119582677

IUPACN-(1-aminopropan-2-yl)-1-(3,4-dichlorophenyl)-N-methylpyrazole-3-carboxamide;hydrochloride
SMILESCC(CN)N(C)C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1.Cl
InChIInChI=1S/C14H16Cl2N4O.ClH/c1-9(8-17)19(2)14(21)13-5-6-20(18-13)10-3-4-11(15)12(16)7-10;/h3-7,9H,8,17H2,1-2H3;1H
InChIKeyQWNDRLZYSGGVSI-UHFFFAOYSA-N
MW363.68 g/mol
LogP3.02
Rot. Bonds4

About N-(1-aminopropan-2-yl)-1-(3,4-dichlorophenyl)-N-methylpyrazole-3-carboxamide;hydrochloride

N-(1-aminopropan-2-yl)-1-(3,4-dichlorophenyl)-N-methylpyrazole-3-carboxamide;hydrochloride (PubChem CID 119582677) has the molecular formula C14H17Cl3N4O and a molecular weight of 363.68 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-1-(3,4-dichlorophenyl)-N-methylpyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-1-(3,4-dichlorophenyl)-N-methylpyrazole-3-carboxamide;hydrochloride
PubChem CID119582677
Molecular FormulaC14H17Cl3N4O
Molecular Weight363.68 g/mol
Exact Mass362.05
IUPAC NameN-(1-aminopropan-2-yl)-1-(3,4-dichlorophenyl)-N-methylpyrazole-3-carboxamide;hydrochloride
SMILESCC(CN)N(C)C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1.Cl
InChIInChI=1S/C14H16Cl2N4O.ClH/c1-9(8-17)19(2)14(21)13-5-6-20(18-13)10-3-4-11(15)12(16)7-10;/h3-7,9H,8,17H2,1-2H3;1H
InChIKeyQWNDRLZYSGGVSI-UHFFFAOYSA-N
XLogP3.02
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.68
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-1-(4-nitrophenyl)pyrazole-3-carboxamide
CID 119583620
3-[[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 119228450
N-(1-amino-4-methylpentan-2-yl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxamide;hydrochloride
CID 119586641
N-(1-aminopropan-2-yl)-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide
CID 119581651
N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119584807
N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119584808
1-[3-chloro-4-(1-hydroxyethyl)phenyl]-N-methylpyrazole-3-carboxamide
CID 64780401
6-[[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid
CID 119220055
1-[4-[(1S)-1-aminoethyl]phenyl]-N,N-dimethylpyrazole-3-carboxamide
CID 64780391
N-(1-aminopropan-2-yl)-2-chloro-4-fluoro-N-methylbenzamide;hydrochloride
CID 119584840
N-(1-aminopropan-2-yl)-2-(4-chlorophenyl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119584366
1-(4-amino-3-methoxyphenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 64781320

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-1-(3,4-dichlorophenyl)-N-methylpyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-1-(3,4-dichlorophenyl)-N-methylpyrazole-3-carboxamide;hydrochloride (CID 119582677) is N-(1-aminopropan-2-yl)-1-(3,4-dichlorophenyl)-N-methylpyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-1-(3,4-dichlorophenyl)-N-methylpyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-1-(3,4-dichlorophenyl)-N-methylpyrazole-3-carboxamide;hydrochloride is CC(CN)N(C)C(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-1-(3,4-dichlorophenyl)-N-methylpyrazole-3-carboxamide;hydrochloride?
The InChIKey is QWNDRLZYSGGVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4O.ClH/c1-9(8-17)19(2)14(21)13-5-6-20(18-13)10-3-4-11(15)12(16)7-10;/h3-7,9H,8,17H2,1-2H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-1-(3,4-dichlorophenyl)-N-methylpyrazole-3-carboxamide;hydrochloride?
N-(1-aminopropan-2-yl)-1-(3,4-dichlorophenyl)-N-methylpyrazole-3-carboxamide;hydrochloride has a molecular weight of 363.68 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-1-(3,4-dichlorophenyl)-N-methylpyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119582677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).