[1-(2-chlorophenyl)pyrazol-3-yl]-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone

C19H25ClN4O — CID 126770991

IUPAC[1-(2-chlorophenyl)pyrazol-3-yl]-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone
SMILESCN(C)CCC1CCN(C(=O)c2ccn(-c3ccccc3Cl)n2)CC1
InChIInChI=1S/C19H25ClN4O/c1-22(2)11-7-15-8-12-23(13-9-15)19(25)17-10-14-24(21-17)18-6-4-3-5-16(18)20/h3-6,10,14-15H,7-9,11-13H2,1-2H3
InChIKeyXUFKINDEDUNGCW-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.33
Rot. Bonds5

About [1-(2-chlorophenyl)pyrazol-3-yl]-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone

[1-(2-chlorophenyl)pyrazol-3-yl]-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone (PubChem CID 126770991) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is [1-(2-chlorophenyl)pyrazol-3-yl]-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-chlorophenyl)pyrazol-3-yl]-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone
PubChem CID126770991
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name[1-(2-chlorophenyl)pyrazol-3-yl]-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone
SMILESCN(C)CCC1CCN(C(=O)c2ccn(-c3ccccc3Cl)n2)CC1
InChIInChI=1S/C19H25ClN4O/c1-22(2)11-7-15-8-12-23(13-9-15)19(25)17-10-14-24(21-17)18-6-4-3-5-16(18)20/h3-6,10,14-15H,7-9,11-13H2,1-2H3
InChIKeyXUFKINDEDUNGCW-UHFFFAOYSA-N
XLogP3.33
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-chlorophenyl)pyrazol-3-yl]-(4-pyrrolidin-3-ylpiperazin-1-yl)methanone
CID 154762709
1-[4-[1-(2-chlorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56521395
[1-(2-aminophenyl)pyrazol-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 43475528
[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 126767010
[1-(2-chlorophenyl)pyrazol-3-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472175
2-[1-[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]acetic acid
CID 119178472
[1-(3,4-dichlorophenyl)pyrazol-3-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645690
[(3S)-3-aminopyrrolidin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
CID 124574217
5-[(3S)-1-[1-(2-chlorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 97217795
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 62371842
3-[[1-(2-chlorophenyl)pyrazole-3-carbonyl]-(oxan-4-yl)amino]propanoic acid
CID 119212319
methyl 4-[1-(2-chlorophenyl)pyrazole-3-carbonyl]-3,5-dihydro-2H-1,4-benzoxazepine-6-carboxylate
CID 166323117

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)pyrazol-3-yl]-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone?
The IUPAC name of [1-(2-chlorophenyl)pyrazol-3-yl]-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone (CID 126770991) is [1-(2-chlorophenyl)pyrazol-3-yl]-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for [1-(2-chlorophenyl)pyrazol-3-yl]-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for [1-(2-chlorophenyl)pyrazol-3-yl]-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone is CN(C)CCC1CCN(C(=O)c2ccn(-c3ccccc3Cl)n2)CC1.
What is the InChIKey of [1-(2-chlorophenyl)pyrazol-3-yl]-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone?
The InChIKey is XUFKINDEDUNGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c1-22(2)11-7-15-8-12-23(13-9-15)19(25)17-10-14-24(21-17)18-6-4-3-5-16(18)20/h3-6,10,14-15H,7-9,11-13H2,1-2H3.
What are the key properties of [1-(2-chlorophenyl)pyrazol-3-yl]-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone?
[1-(2-chlorophenyl)pyrazol-3-yl]-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone has a molecular weight of 360.89 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)pyrazol-3-yl]-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 126770991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).