5-[(4-chlorophenyl)methyl]-3-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazole

C15H15ClN4 — CID 141273442

IUPAC5-[(4-chlorophenyl)methyl]-3-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazole
SMILESClc1ccc(Cc2cc(CCc3cnc[nH]3)n[nH]2)cc1
InChIInChI=1S/C15H15ClN4/c16-12-3-1-11(2-4-12)7-15-8-13(19-20-15)5-6-14-9-17-10-18-14/h1-4,8-10H,5-7H2,(H,17,18)(H,19,20)
InChIKeyAWFMJNZTWJZGSR-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.16
Rot. Bonds5

About 5-[(4-chlorophenyl)methyl]-3-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazole

5-[(4-chlorophenyl)methyl]-3-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazole (PubChem CID 141273442) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-3-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-3-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazole
PubChem CID141273442
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name5-[(4-chlorophenyl)methyl]-3-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazole
SMILESClc1ccc(Cc2cc(CCc3cnc[nH]3)n[nH]2)cc1
InChIInChI=1S/C15H15ClN4/c16-12-3-1-11(2-4-12)7-15-8-13(19-20-15)5-6-14-9-17-10-18-14/h1-4,8-10H,5-7H2,(H,17,18)(H,19,20)
InChIKeyAWFMJNZTWJZGSR-UHFFFAOYSA-N
XLogP3.16
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-3-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazole?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-3-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazole (CID 141273442) is 5-[(4-chlorophenyl)methyl]-3-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazole.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-3-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazole?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-3-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazole is Clc1ccc(Cc2cc(CCc3cnc[nH]3)n[nH]2)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-3-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazole?
The InChIKey is AWFMJNZTWJZGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c16-12-3-1-11(2-4-12)7-15-8-13(19-20-15)5-6-14-9-17-10-18-14/h1-4,8-10H,5-7H2,(H,17,18)(H,19,20).
What are the key properties of 5-[(4-chlorophenyl)methyl]-3-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazole?
5-[(4-chlorophenyl)methyl]-3-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazole has a molecular weight of 286.77 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-3-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazole is sourced from PubChem (CID 141273442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).