4-[[4-(5-benzyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-3-chloropyridine

C21H23ClN4 — CID 118518677

IUPAC4-[[4-(5-benzyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-3-chloropyridine
SMILESClc1cnccc1CN1CCC(c2cn[nH]c2Cc2ccccc2)CC1
InChIInChI=1S/C21H23ClN4/c22-20-14-23-9-6-18(20)15-26-10-7-17(8-11-26)19-13-24-25-21(19)12-16-4-2-1-3-5-16/h1-6,9,13-14,17H,7-8,10-12,15H2,(H,24,25)
InChIKeyYWLDQQLBFACRDY-UHFFFAOYSA-N
MW366.90 g/mol
LogP4.43
Rot. Bonds5

About 4-[[4-(5-benzyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-3-chloropyridine

4-[[4-(5-benzyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-3-chloropyridine (PubChem CID 118518677) has the molecular formula C21H23ClN4 and a molecular weight of 366.90 g/mol. Its IUPAC name is 4-[[4-(5-benzyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-3-chloropyridine.

Molecular Properties

Compound Name4-[[4-(5-benzyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-3-chloropyridine
PubChem CID118518677
Molecular FormulaC21H23ClN4
Molecular Weight366.90 g/mol
Exact Mass366.16
IUPAC Name4-[[4-(5-benzyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-3-chloropyridine
SMILESClc1cnccc1CN1CCC(c2cn[nH]c2Cc2ccccc2)CC1
InChIInChI=1S/C21H23ClN4/c22-20-14-23-9-6-18(20)15-26-10-7-17(8-11-26)19-13-24-25-21(19)12-16-4-2-1-3-5-16/h1-6,9,13-14,17H,7-8,10-12,15H2,(H,24,25)
InChIKeyYWLDQQLBFACRDY-UHFFFAOYSA-N
XLogP4.43
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.90
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[4-(5-benzyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-3-chloropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2,3-dichloropyridine
CID 129132926
2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]acetic acid
CID 79608115
2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]oxy-5-methylpyrimidine
CID 136551054
(3S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-ol
CID 79031489
3-chloro-4-[(4-chloro-3-methylpiperidin-1-yl)methyl]pyridine
CID 114682329
4-[[4-(1-bromoethyl)piperidin-1-yl]methyl]-3-chloropyridine
CID 106838415
[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methanesulfonamide
CID 71906954
5-[[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one
CID 138382589
4-[[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine
CID 129132920
4-(4-benzyl-1H-pyrazol-5-yl)-1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]piperidine
CID 56744086
4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2,3-bis(methylsulfonyl)pyridine
CID 129141016
[3-(4-benzylpiperazin-1-yl)-4-pyridinyl]methanol
CID 105066656

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(5-benzyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-3-chloropyridine?
The IUPAC name of 4-[[4-(5-benzyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-3-chloropyridine (CID 118518677) is 4-[[4-(5-benzyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-3-chloropyridine.
What is the SMILES notation for 4-[[4-(5-benzyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-3-chloropyridine?
The canonical SMILES for 4-[[4-(5-benzyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-3-chloropyridine is Clc1cnccc1CN1CCC(c2cn[nH]c2Cc2ccccc2)CC1.
What is the InChIKey of 4-[[4-(5-benzyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-3-chloropyridine?
The InChIKey is YWLDQQLBFACRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4/c22-20-14-23-9-6-18(20)15-26-10-7-17(8-11-26)19-13-24-25-21(19)12-16-4-2-1-3-5-16/h1-6,9,13-14,17H,7-8,10-12,15H2,(H,24,25).
What are the key properties of 4-[[4-(5-benzyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-3-chloropyridine?
4-[[4-(5-benzyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-3-chloropyridine has a molecular weight of 366.90 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(5-benzyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-3-chloropyridine is sourced from PubChem (CID 118518677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).