3-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-4-carboxamide

C16H21ClN4O — CID 56790848

IUPAC3-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-4-carboxamide
SMILESCN(C)CCCNC(=O)c1cn(C)nc1-c1ccccc1Cl
InChIInChI=1S/C16H21ClN4O/c1-20(2)10-6-9-18-16(22)13-11-21(3)19-15(13)12-7-4-5-8-14(12)17/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,18,22)
InChIKeyXDGIIFAYIRSRFA-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.42
Rot. Bonds6

About 3-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-4-carboxamide

3-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-4-carboxamide (PubChem CID 56790848) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-4-carboxamide
PubChem CID56790848
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC Name3-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-4-carboxamide
SMILESCN(C)CCCNC(=O)c1cn(C)nc1-c1ccccc1Cl
InChIInChI=1S/C16H21ClN4O/c1-20(2)10-6-9-18-16(22)13-11-21(3)19-15(13)12-7-4-5-8-14(12)17/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,18,22)
InChIKeyXDGIIFAYIRSRFA-UHFFFAOYSA-N
XLogP2.42
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-1-tert-butyl-3-(2-chlorophenyl)pyrazole-4-carboxamide
CID 119405158
3-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 98912864
3-(2-chlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-1-methylpyrazole-4-carboxamide
CID 111471226
3-(2-chlorophenyl)-1-methyl-N-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 119390437
3-[[3-(2-chlorophenyl)-1-methylpyrazole-4-carbonyl]-methylamino]-2-methylpropanoic acid
CID 119228298
N-[3-(dimethylamino)propyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 45285661
3-(2-chlorophenyl)-1-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide
CID 86901301
6-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]phenanthridine-4-carboxamide;hydrochloride
CID 45262948
6-N-(2-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
CID 109096585
N-[3-(dimethylamino)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2333924
3-(2-chlorophenyl)-1-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride
CID 120597925
2,5-dichloro-N-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]benzamide
CID 71296271

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-4-carboxamide (CID 56790848) is 3-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-4-carboxamide is CN(C)CCCNC(=O)c1cn(C)nc1-c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is XDGIIFAYIRSRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O/c1-20(2)10-6-9-18-16(22)13-11-21(3)19-15(13)12-7-4-5-8-14(12)17/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,18,22).
What are the key properties of 3-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-4-carboxamide?
3-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 320.82 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 56790848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).