4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]piperidine

C14H15Cl2N3 — CID 1486813

IUPAC4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]piperidine
SMILESClc1ccc(-c2cc(C3CCNCC3)[nH]n2)c(Cl)c1
InChIInChI=1S/C14H15Cl2N3/c15-10-1-2-11(12(16)7-10)14-8-13(18-19-14)9-3-5-17-6-4-9/h1-2,7-9,17H,3-6H2,(H,18,19)
InChIKeyFKEBRCPVZPTAMC-UHFFFAOYSA-N
MW296.20 g/mol
LogP3.85
Rot. Bonds2

About 4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]piperidine

4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]piperidine (PubChem CID 1486813) has the molecular formula C14H15Cl2N3 and a molecular weight of 296.20 g/mol. Its IUPAC name is 4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]piperidine
PubChem CID1486813
Molecular FormulaC14H15Cl2N3
Molecular Weight296.20 g/mol
Exact Mass295.06
IUPAC Name4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]piperidine
SMILESClc1ccc(-c2cc(C3CCNCC3)[nH]n2)c(Cl)c1
InChIInChI=1S/C14H15Cl2N3/c15-10-1-2-11(12(16)7-10)14-8-13(18-19-14)9-3-5-17-6-4-9/h1-2,7-9,17H,3-6H2,(H,18,19)
InChIKeyFKEBRCPVZPTAMC-UHFFFAOYSA-N
XLogP3.85
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-1H,4H,5H,6H,7H-pyrazolo(4,3-c)pyridine dihydrochloride
CID 67337450
4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine
CID 449126
Zinc00434359
CID 869251
3,5-bis(4-chlorophenyl)-1H-pyrazole
CID 12436641
3-(4-Chlorophenyl)-5-methyl-1H-pyrazole
CID 606094
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-1-[(4-chlorophenyl)methyl]piperidine
CID 3746693
3-(1-Benzyl-pyrrolidin-3-yl)-5-(4-chloro-phenyl)-1H-pyrazole
CID 10497193
1-Benzyl-4-[5-(4-chloro-phenyl)-1H-pyrazol-3-yl]-4-methyl-piperidine
CID 10546828
1-Benzyl-4-[5-(4-chloro-phenyl)-1H-pyrazol-3-yl]-piperidine
CID 10594113
1-benzyl-4-[5-(4-chlorophenyl)-4-ethyl-1H-pyrazol-3-yl]piperidine
CID 10595908
1-Benzyl-3-[5-(4-chloro-phenyl)-1H-pyrazol-3-yl]-piperidine
CID 10617946
4-[5-(4-Chloro-phenyl)-1H-pyrazol-3-yl]-1-phenethyl-piperidine
CID 10618874

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of 4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]piperidine (CID 1486813) is 4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for 4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for 4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]piperidine is Clc1ccc(-c2cc(C3CCNCC3)[nH]n2)c(Cl)c1.
What is the InChIKey of 4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is FKEBRCPVZPTAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3/c15-10-1-2-11(12(16)7-10)14-8-13(18-19-14)9-3-5-17-6-4-9/h1-2,7-9,17H,3-6H2,(H,18,19).
What are the key properties of 4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]piperidine?
4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 296.20 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 1486813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).