5-(cyclopentylmethyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide

C22H28Cl2N4O — CID 90036440

IUPAC5-(cyclopentylmethyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1CC1CCCC1
InChIInChI=1S/C22H28Cl2N4O/c1-15-20(13-16-7-3-4-8-16)28(19-10-9-17(23)14-18(19)24)25-21(15)22(29)26-27-11-5-2-6-12-27/h9-10,14,16H,2-8,11-13H2,1H3,(H,26,29)
InChIKeyFLWLJRUJDBYGGI-UHFFFAOYSA-N
MW435.40 g/mol
LogP5.35
Rot. Bonds5

About 5-(cyclopentylmethyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide

5-(cyclopentylmethyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide (PubChem CID 90036440) has the molecular formula C22H28Cl2N4O and a molecular weight of 435.40 g/mol. Its IUPAC name is 5-(cyclopentylmethyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(cyclopentylmethyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
PubChem CID90036440
Molecular FormulaC22H28Cl2N4O
Molecular Weight435.40 g/mol
Exact Mass434.16
IUPAC Name5-(cyclopentylmethyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1CC1CCCC1
InChIInChI=1S/C22H28Cl2N4O/c1-15-20(13-16-7-3-4-8-16)28(19-10-9-17(23)14-18(19)24)25-21(15)22(29)26-27-11-5-2-6-12-27/h9-10,14,16H,2-8,11-13H2,1H3,(H,26,29)
InChIKeyFLWLJRUJDBYGGI-UHFFFAOYSA-N
XLogP5.35
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.40
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-cyclopropylphenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 24991147
1-(2,4-dichlorophenyl)-5-(2-iodophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 10650406
N-(azepan-1-yl)-5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 10506183
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide;sulfuric acid
CID 25026422
1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide;hydrochloride
CID 46837031
4-[4-[1-(2,4-dichlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)pyrazol-5-yl]phenyl]benzoic acid
CID 155542177
1-(2,4-dichlorophenyl)-5-[4-(hydroxycarbamoyl)phenyl]-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 162713195
1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-5-[4-(2-sulfanylethyl)phenyl]pyrazole-3-carboxamide
CID 88873863
1-(2,4-dichlorophenyl)-4-methyl-5-[4-(2-methylcyclopropyl)phenyl]-N-piperidin-1-ylpyrazole-3-carboxamide
CID 71089151
1-(2,4-dichlorophenyl)-5-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 59232565
5-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide
CID 24881410
5-(4-but-1-ynylphenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 122198481

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The IUPAC name of 5-(cyclopentylmethyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide (CID 90036440) is 5-(cyclopentylmethyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(cyclopentylmethyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The canonical SMILES for 5-(cyclopentylmethyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide is Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1CC1CCCC1.
What is the InChIKey of 5-(cyclopentylmethyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The InChIKey is FLWLJRUJDBYGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28Cl2N4O/c1-15-20(13-16-7-3-4-8-16)28(19-10-9-17(23)14-18(19)24)25-21(15)22(29)26-27-11-5-2-6-12-27/h9-10,14,16H,2-8,11-13H2,1H3,(H,26,29).
What are the key properties of 5-(cyclopentylmethyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
5-(cyclopentylmethyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide has a molecular weight of 435.40 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide is sourced from PubChem (CID 90036440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).