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

C22H23ClN4O2 — CID 42244340

IUPAC2-chloro-N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccnn1C1CCN(Cc2cccc(O)c2)CC1)c1ccccc1Cl
InChIInChI=1S/C22H23ClN4O2/c23-20-7-2-1-6-19(20)22(29)25-21-8-11-24-27(21)17-9-12-26(13-10-17)15-16-4-3-5-18(28)14-16/h1-8,11,14,17,28H,9-10,12-13,15H2,(H,25,29)
InChIKeyDSFBLQXHJBKSQG-UHFFFAOYSA-N
MW410.91 g/mol
LogP4.33
Rot. Bonds5

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

2-chloro-N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 42244340) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 2-chloro-N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID42244340
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name2-chloro-N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccnn1C1CCN(Cc2cccc(O)c2)CC1)c1ccccc1Cl
InChIInChI=1S/C22H23ClN4O2/c23-20-7-2-1-6-19(20)22(29)25-21-8-11-24-27(21)17-9-12-26(13-10-17)15-16-4-3-5-18(28)14-16/h1-8,11,14,17,28H,9-10,12-13,15H2,(H,25,29)
InChIKeyDSFBLQXHJBKSQG-UHFFFAOYSA-N
XLogP4.33
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide
CID 24793136
N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-2-methoxybenzamide
CID 25450557
N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide
CID 42302028
N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42211407
N-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
CID 25487941
N-[2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide
CID 45218188
1-(2-chlorophenyl)-3-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]urea
CID 26321155
N-[2-[1-[[3-(furan-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 26322158
N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide
CID 24791290
N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
CID 25455004
2-chloro-N-[2-[1-(2,6-dimethylhept-5-enyl)piperidin-4-yl]pyrazol-3-yl]benzamide
CID 45232442
N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 2-chloro-N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (CID 42244340) is 2-chloro-N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is O=C(Nc1ccnn1C1CCN(Cc2cccc(O)c2)CC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is DSFBLQXHJBKSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c23-20-7-2-1-6-19(20)22(29)25-21-8-11-24-27(21)17-9-12-26(13-10-17)15-16-4-3-5-18(28)14-16/h1-8,11,14,17,28H,9-10,12-13,15H2,(H,25,29).
What are the key properties of 2-chloro-N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
2-chloro-N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 410.91 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 42244340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).