3-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole

C14H16N2 — CID 3659088

IUPAC3-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole
SMILESCc1ccc(Cn2ccc(C3CC3)n2)cc1
InChIInChI=1S/C14H16N2/c1-11-2-4-12(5-3-11)10-16-9-8-14(15-16)13-6-7-13/h2-5,8-9,13H,6-7,10H2,1H3
InChIKeyAGJUNHBAUBTSLE-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.12
Rot. Bonds3

About 3-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole

3-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole (PubChem CID 3659088) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole.

Molecular Properties

Compound Name3-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole
PubChem CID3659088
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name3-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole
SMILESCc1ccc(Cn2ccc(C3CC3)n2)cc1
InChIInChI=1S/C14H16N2/c1-11-2-4-12(5-3-11)10-16-9-8-14(15-16)13-6-7-13/h2-5,8-9,13H,6-7,10H2,1H3
InChIKeyAGJUNHBAUBTSLE-UHFFFAOYSA-N
XLogP3.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole?
The IUPAC name of 3-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole (CID 3659088) is 3-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole.
What is the SMILES notation for 3-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole?
The canonical SMILES for 3-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole is Cc1ccc(Cn2ccc(C3CC3)n2)cc1.
What is the InChIKey of 3-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole?
The InChIKey is AGJUNHBAUBTSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-11-2-4-12(5-3-11)10-16-9-8-14(15-16)13-6-7-13/h2-5,8-9,13H,6-7,10H2,1H3.
What are the key properties of 3-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole?
3-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole has a molecular weight of 212.30 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole is sourced from PubChem (CID 3659088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).