4-chloro-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide

C21H22ClN5O — CID 53181025

IUPAC4-chloro-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(c2cc(-c3ccncc3)[nH]n2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H22ClN5O/c22-18-3-1-17(2-4-18)21(28)24-14-15-7-11-27(12-8-15)20-13-19(25-26-20)16-5-9-23-10-6-16/h1-6,9-10,13,15H,7-8,11-12,14H2,(H,24,28)(H,25,26)
InChIKeyACCZZFKYXLFBOA-UHFFFAOYSA-N
MW395.89 g/mol
LogP3.77
Rot. Bonds5

About 4-chloro-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide

4-chloro-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide (PubChem CID 53181025) has the molecular formula C21H22ClN5O and a molecular weight of 395.89 g/mol. Its IUPAC name is 4-chloro-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide
PubChem CID53181025
Molecular FormulaC21H22ClN5O
Molecular Weight395.89 g/mol
Exact Mass395.15
IUPAC Name4-chloro-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(c2cc(-c3ccncc3)[nH]n2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H22ClN5O/c22-18-3-1-17(2-4-18)21(28)24-14-15-7-11-27(12-8-15)20-13-19(25-26-20)16-5-9-23-10-6-16/h1-6,9-10,13,15H,7-8,11-12,14H2,(H,24,28)(H,25,26)
InChIKeyACCZZFKYXLFBOA-UHFFFAOYSA-N
XLogP3.77
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide
CID 53181032
N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide
CID 99741299
2-(3-fluorophenyl)-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]acetamide
CID 53181022
4-chloro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide
CID 91624801
4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108725
4-bromo-N-[(3S)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 99744827
N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]pyridine-4-carboxamide
CID 53181017
4-acetamido-N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 91888039
N-[(3S)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-4-cyanobenzamide
CID 99741498
N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-4-(dimethylamino)benzamide
CID 99741297
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-(pyridin-4-ylmethyl)benzamide
CID 46109252
4-methoxy-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 53181016

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide (CID 53181025) is 4-chloro-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide is O=C(NCC1CCN(c2cc(-c3ccncc3)[nH]n2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide?
The InChIKey is ACCZZFKYXLFBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O/c22-18-3-1-17(2-4-18)21(28)24-14-15-7-11-27(12-8-15)20-13-19(25-26-20)16-5-9-23-10-6-16/h1-6,9-10,13,15H,7-8,11-12,14H2,(H,24,28)(H,25,26).
What are the key properties of 4-chloro-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide?
4-chloro-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide has a molecular weight of 395.89 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 53181025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).