2-(2,4-dichlorophenyl)-N-(2-methylpiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide

C16H20Cl2N4O — CID 143932609

IUPAC2-(2,4-dichlorophenyl)-N-(2-methylpiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide
SMILESCC1CCCCN1NC(=O)C1=NN(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C16H20Cl2N4O/c1-11-4-2-3-8-21(11)20-16(23)14-7-9-22(19-14)15-6-5-12(17)10-13(15)18/h5-6,10-11H,2-4,7-9H2,1H3,(H,20,23)
InChIKeyMMNCIRJBMPKOIN-UHFFFAOYSA-N
MW355.27 g/mol
LogP3.47
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-N-(2-methylpiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide

2-(2,4-dichlorophenyl)-N-(2-methylpiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide (PubChem CID 143932609) has the molecular formula C16H20Cl2N4O and a molecular weight of 355.27 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-(2-methylpiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-(2-methylpiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide
PubChem CID143932609
Molecular FormulaC16H20Cl2N4O
Molecular Weight355.27 g/mol
Exact Mass354.10
IUPAC Name2-(2,4-dichlorophenyl)-N-(2-methylpiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide
SMILESCC1CCCCN1NC(=O)C1=NN(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C16H20Cl2N4O/c1-11-4-2-3-8-21(11)20-16(23)14-7-9-22(19-14)15-6-5-12(17)10-13(15)18/h5-6,10-11H,2-4,7-9H2,1H3,(H,20,23)
InChIKeyMMNCIRJBMPKOIN-UHFFFAOYSA-N
XLogP3.47
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

chlorobenzene;N-cyclohexyl-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide;ethane
CID 143395360
N-(4-chloro-2-piperidin-1-ylphenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide
CID 143395212
2-(2,4-dichlorophenyl)-N'-pentyl-3,4-dihydropyrazole-5-carbohydrazide
CID 143395196
N-(2-methylpiperidin-1-yl)benzamide
CID 72760712
N-(2-carbamoylpyrrolidin-1-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide
CID 44544494
2-(2,4-dichlorophenyl)-3-methyl-3,4-dihydropyrazole-5-carboxylic acid
CID 143723671
2-[[1-[[2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole-5-carbonyl]amino]piperidin-2-yl]methoxy]acetic acid
CID 44544396
(3R)-2-(2,4-dichlorophenyl)-3-iodo-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
CID 89378026
N-(azepan-1-yl)-4-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-3H-pyrazole-5-carboxamide;hydrochloride
CID 69303298
chlorobenzene;(4S)-N-cycloheptyl-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide
CID 143395358
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-4-methyl-3,4-dihydropyrazole-5-carboxamide
CID 69112066
4-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
CID 23653997

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-(2-methylpiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-(2-methylpiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide (CID 143932609) is 2-(2,4-dichlorophenyl)-N-(2-methylpiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-(2-methylpiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-(2-methylpiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide is CC1CCCCN1NC(=O)C1=NN(c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-(2-methylpiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is MMNCIRJBMPKOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N4O/c1-11-4-2-3-8-21(11)20-16(23)14-7-9-22(19-14)15-6-5-12(17)10-13(15)18/h5-6,10-11H,2-4,7-9H2,1H3,(H,20,23).
What are the key properties of 2-(2,4-dichlorophenyl)-N-(2-methylpiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide?
2-(2,4-dichlorophenyl)-N-(2-methylpiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 355.27 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-(2-methylpiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 143932609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).