N-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide

C16H21ClN4O — CID 130313190

IUPACN-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide
SMILESCN(C)CCCN(Cc1ccccc1Cl)C(=O)c1ccn[nH]1
InChIInChI=1S/C16H21ClN4O/c1-20(2)10-5-11-21(16(22)15-8-9-18-19-15)12-13-6-3-4-7-14(13)17/h3-4,6-9H,5,10-12H2,1-2H3,(H,18,19)
InChIKeyMCKCFPHWQUQSHV-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.66
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide

N-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide (PubChem CID 130313190) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide
PubChem CID130313190
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC NameN-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide
SMILESCN(C)CCCN(Cc1ccccc1Cl)C(=O)c1ccn[nH]1
InChIInChI=1S/C16H21ClN4O/c1-20(2)10-5-11-21(16(22)15-8-9-18-19-15)12-13-6-3-4-7-14(13)17/h3-4,6-9H,5,10-12H2,1-2H3,(H,18,19)
InChIKeyMCKCFPHWQUQSHV-UHFFFAOYSA-N
XLogP2.66
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-5-fluorophenyl)methyl]-N-[2-(diethylamino)ethyl]-1H-pyrazole-5-carboxamide
CID 144610924
N-[(5-amino-2-chlorophenyl)methyl]-N-[2-(azepan-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 142559789
4-[acetyl-[(2-chlorophenyl)methyl]amino]butanoic acid
CID 39369198
4,5-dichloro-N-[(2-chlorophenyl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide
CID 78853144
N-[(2-amino-6-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
CID 130313334
4-[methyl(1H-pyrazole-5-carbonyl)amino]butanoic acid
CID 43172441
N'-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]propanediamide
CID 108944155
2-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]acetamide
CID 108995200
N-[(2-amino-6-chlorophenyl)methyl]-N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 130313155
2-(aminomethyl)-N-butyl-N-[(2-chlorophenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119769463
N-[(3,4-dichlorophenyl)methyl]-N-[3-(dimethylamino)propyl]isoquinoline-1-carboxamide
CID 52822247
N-(2-amino-2-hydroxyiminoethyl)-N-propyl-1H-pyrazole-5-carboxamide
CID 76983799

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide (CID 130313190) is N-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide is CN(C)CCCN(Cc1ccccc1Cl)C(=O)c1ccn[nH]1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide?
The InChIKey is MCKCFPHWQUQSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O/c1-20(2)10-5-11-21(16(22)15-8-9-18-19-15)12-13-6-3-4-7-14(13)17/h3-4,6-9H,5,10-12H2,1-2H3,(H,18,19).
What are the key properties of N-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide?
N-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide has a molecular weight of 320.82 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 130313190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).