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

C23H25ClN4O2 — CID 24817384

IUPAC2-chloro-N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccccc1CN1CCC(n2nccc2NC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C23H25ClN4O2/c1-30-21-9-5-2-6-17(21)16-27-14-11-18(12-15-27)28-22(10-13-25-28)26-23(29)19-7-3-4-8-20(19)24/h2-10,13,18H,11-12,14-16H2,1H3,(H,26,29)
InChIKeyRBGPYBDIKIZVQL-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.63
Rot. Bonds6

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

2-chloro-N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 24817384) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is 2-chloro-N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID24817384
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC Name2-chloro-N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccccc1CN1CCC(n2nccc2NC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C23H25ClN4O2/c1-30-21-9-5-2-6-17(21)16-27-14-11-18(12-15-27)28-22(10-13-25-28)26-23(29)19-7-3-4-8-20(19)24/h2-10,13,18H,11-12,14-16H2,1H3,(H,26,29)
InChIKeyRBGPYBDIKIZVQL-UHFFFAOYSA-N
XLogP4.63
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-chlorophenoxy)methyl]-N-[1-(2-fluorobenzyl)-1H-pyrazol-3-yl]benzamide
CID 999249
N-[1-({5-chloro-2-[(phenyl methyl)oxy]phenyl}methyl)-5-methyl-1H-pyrazol-3-yl]-2-(2-pyridinyl)acetamide
CID 44448325
N-[1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 44448347
N-[1-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-5-methylpyrazol-3-yl]-3-(piperidin-1-ylmethyl)benzamide;hydrochloride
CID 44568551
N-[1-({5-Chloro-2-[(2-methylpropyl)oxy]phenyl}methyl)-5-methyl-1H-pyrazol-3-yl]-4-[(dimethylamino)methyl]benzamide hydrochloride
CID 44568594
N-[1-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-5-methylpyrazol-3-yl]-4-(piperidin-1-ylmethyl)benzamide;hydrochloride
CID 44568597
N-[1-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-5-methylpyrazol-3-yl]-4-(morpholin-4-ylmethyl)benzamide;hydrochloride
CID 44568599
N-{1-[1-(2-ethoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-4-phenylbutanamide
CID 24790124
N-{1-[1-(3-cyclopentylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2-methoxybenzamide
CID 24790322
N-{1-[1-(2-fluoro-5-methoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-4-phenylbutanamide
CID 24790783
N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 24791091
N-{1-[1-(4-ethoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2-methoxybenzamide
CID 24791108

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 2-chloro-N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (CID 24817384) is 2-chloro-N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is COc1ccccc1CN1CCC(n2nccc2NC(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 2-chloro-N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is RBGPYBDIKIZVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c1-30-21-9-5-2-6-17(21)16-27-14-11-18(12-15-27)28-22(10-13-25-28)26-23(29)19-7-3-4-8-20(19)24/h2-10,13,18H,11-12,14-16H2,1H3,(H,26,29).
What are the key properties of 2-chloro-N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
2-chloro-N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 424.93 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 24817384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).