4-(4-chlorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]pyrazole

C14H13ClN4 — CID 118864438

IUPAC4-(4-chlorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]pyrazole
SMILESCn1cc(Cn2cc(-c3ccc(Cl)cc3)cn2)cn1
InChIInChI=1S/C14H13ClN4/c1-18-8-11(6-16-18)9-19-10-13(7-17-19)12-2-4-14(15)5-3-12/h2-8,10H,9H2,1H3
InChIKeyHXXKCCOYYFKOHT-UHFFFAOYSA-N
MW272.74 g/mol
LogP2.99
Rot. Bonds3

About 4-(4-chlorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]pyrazole

4-(4-chlorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]pyrazole (PubChem CID 118864438) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]pyrazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]pyrazole
PubChem CID118864438
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC Name4-(4-chlorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]pyrazole
SMILESCn1cc(Cn2cc(-c3ccc(Cl)cc3)cn2)cn1
InChIInChI=1S/C14H13ClN4/c1-18-8-11(6-16-18)9-19-10-13(7-17-19)12-2-4-14(15)5-3-12/h2-8,10H,9H2,1H3
InChIKeyHXXKCCOYYFKOHT-UHFFFAOYSA-N
XLogP2.99
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]pyrazole?
The IUPAC name of 4-(4-chlorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]pyrazole (CID 118864438) is 4-(4-chlorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]pyrazole.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]pyrazole?
The canonical SMILES for 4-(4-chlorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]pyrazole is Cn1cc(Cn2cc(-c3ccc(Cl)cc3)cn2)cn1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]pyrazole?
The InChIKey is HXXKCCOYYFKOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4/c1-18-8-11(6-16-18)9-19-10-13(7-17-19)12-2-4-14(15)5-3-12/h2-8,10H,9H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]pyrazole?
4-(4-chlorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]pyrazole has a molecular weight of 272.74 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]pyrazole is sourced from PubChem (CID 118864438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).