5-[2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)phenyl]-1H-pyrazole

C13H13ClN4 — CID 169281075

IUPAC5-[2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)phenyl]-1H-pyrazole
SMILESClc1cc(CC2=NCCN2)ccc1-c1ccn[nH]1
InChIInChI=1S/C13H13ClN4/c14-11-7-9(8-13-15-5-6-16-13)1-2-10(11)12-3-4-17-18-12/h1-4,7H,5-6,8H2,(H,15,16)(H,17,18)
InChIKeyBENSVNOVDUFDQG-UHFFFAOYSA-N
MW260.73 g/mol
LogP2.27
Rot. Bonds3

About 5-[2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)phenyl]-1H-pyrazole

5-[2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)phenyl]-1H-pyrazole (PubChem CID 169281075) has the molecular formula C13H13ClN4 and a molecular weight of 260.73 g/mol. Its IUPAC name is 5-[2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)phenyl]-1H-pyrazole
PubChem CID169281075
Molecular FormulaC13H13ClN4
Molecular Weight260.73 g/mol
Exact Mass260.08
IUPAC Name5-[2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)phenyl]-1H-pyrazole
SMILESClc1cc(CC2=NCCN2)ccc1-c1ccn[nH]1
InChIInChI=1S/C13H13ClN4/c14-11-7-9(8-13-15-5-6-16-13)1-2-10(11)12-3-4-17-18-12/h1-4,7H,5-6,8H2,(H,15,16)(H,17,18)
InChIKeyBENSVNOVDUFDQG-UHFFFAOYSA-N
XLogP2.27
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.73
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)phenyl]-1H-pyrazole?
The IUPAC name of 5-[2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)phenyl]-1H-pyrazole (CID 169281075) is 5-[2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)phenyl]-1H-pyrazole.
What is the SMILES notation for 5-[2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)phenyl]-1H-pyrazole?
The canonical SMILES for 5-[2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)phenyl]-1H-pyrazole is Clc1cc(CC2=NCCN2)ccc1-c1ccn[nH]1.
What is the InChIKey of 5-[2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)phenyl]-1H-pyrazole?
The InChIKey is BENSVNOVDUFDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4/c14-11-7-9(8-13-15-5-6-16-13)1-2-10(11)12-3-4-17-18-12/h1-4,7H,5-6,8H2,(H,15,16)(H,17,18).
What are the key properties of 5-[2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)phenyl]-1H-pyrazole?
5-[2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)phenyl]-1H-pyrazole has a molecular weight of 260.73 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)phenyl]-1H-pyrazole is sourced from PubChem (CID 169281075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).