2-chloro-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide

C25H29ClN4O — CID 24793280

IUPAC2-chloro-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCc1cc(C)c(CN2CCC(n3nccc3NC(=O)c3ccccc3Cl)CC2)cc1C
InChIInChI=1S/C25H29ClN4O/c1-17-14-19(3)20(15-18(17)2)16-29-12-9-21(10-13-29)30-24(8-11-27-30)28-25(31)22-6-4-5-7-23(22)26/h4-8,11,14-15,21H,9-10,12-13,16H2,1-3H3,(H,28,31)
InChIKeyHZIYQSBATGNZGL-UHFFFAOYSA-N
MW436.99 g/mol
LogP5.55
Rot. Bonds5

About 2-chloro-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide

2-chloro-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 24793280) has the molecular formula C25H29ClN4O and a molecular weight of 436.99 g/mol. Its IUPAC name is 2-chloro-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID24793280
Molecular FormulaC25H29ClN4O
Molecular Weight436.99 g/mol
Exact Mass436.20
IUPAC Name2-chloro-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCc1cc(C)c(CN2CCC(n3nccc3NC(=O)c3ccccc3Cl)CC2)cc1C
InChIInChI=1S/C25H29ClN4O/c1-17-14-19(3)20(15-18(17)2)16-29-12-9-21(10-13-29)30-24(8-11-27-30)28-25(31)22-6-4-5-7-23(22)26/h4-8,11,14-15,21H,9-10,12-13,16H2,1-3H3,(H,28,31)
InChIKeyHZIYQSBATGNZGL-UHFFFAOYSA-N
XLogP5.55
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.99
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2-chlorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-N-cyclopropyl-4-methylbenzamide
CID 25118568
5-[(2-Chloro-4-methyl-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide
CID 118505223
2-chloro-5-(1-methyl-1H-pyrazol-3-yl)-N-(1-phenyl-3-pyridin-4-yl-1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 91933847
N-{1-[1-(4-chlorobenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-4-phenylbutanamide
CID 24790157
N-[2-[1-(2-methylbenzyl)-4-piperidyl]pyrazol-3-yl]-4-phenyl-butyramide
CID 24790158
2-chloro-N-{1-[1-(3-pyridinylmethyl)-4-piperidinyl]-1H-pyrazol-5-yl}benzamide
CID 24790584
N-[1-(1-benzyl-4-piperidinyl)-1H-pyrazol-5-yl]-4-phenylbutanamide
CID 24790604
2-methyl-N-{1-[1-(4-pyridinylmethyl)-4-piperidinyl]-1H-pyrazol-5-yl}benzamide
CID 24790704
2-methyl-N-[2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide
CID 24791146
N-[2-[1-[1-(4-chlorophenyl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 24791483
N-[2-[1-(3-methoxypropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide
CID 24791631
N-[2-[1-[(1-isopropylpyrazol-4-yl)methyl]-4-piperidyl]pyrazol-3-yl]-2-methyl-benzamide
CID 24791977

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 2-chloro-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (CID 24793280) is 2-chloro-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is Cc1cc(C)c(CN2CCC(n3nccc3NC(=O)c3ccccc3Cl)CC2)cc1C.
What is the InChIKey of 2-chloro-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is HZIYQSBATGNZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O/c1-17-14-19(3)20(15-18(17)2)16-29-12-9-21(10-13-29)30-24(8-11-27-30)28-25(31)22-6-4-5-7-23(22)26/h4-8,11,14-15,21H,9-10,12-13,16H2,1-3H3,(H,28,31).
What are the key properties of 2-chloro-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
2-chloro-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 436.99 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 24793280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).