1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole

C14H14N4 — CID 15190534

IUPAC1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole
SMILESc1ccc(Cn2cccn2)c(Cn2cccn2)c1
InChIInChI=1S/C14H14N4/c1-2-6-14(12-18-10-4-8-16-18)13(5-1)11-17-9-3-7-15-17/h1-10H,11-12H2
InChIKeyWYDYQKCRKGWYHR-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.18
Rot. Bonds4

About 1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole

1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole (PubChem CID 15190534) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole.

Molecular Properties

Compound Name1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole
PubChem CID15190534
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole
SMILESc1ccc(Cn2cccn2)c(Cn2cccn2)c1
InChIInChI=1S/C14H14N4/c1-2-6-14(12-18-10-4-8-16-18)13(5-1)11-17-9-3-7-15-17/h1-10H,11-12H2
InChIKeyWYDYQKCRKGWYHR-UHFFFAOYSA-N
XLogP2.18
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Methylphenyl)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazole
CID 152221091
1-Methyl-3-phenyl-1H-pyrazole
CID 137946
4-(1H-pyrazol-1-ylmethyl)benzonitrile
CID 8834695
1-Benzyl-1H-pyrazole
CID 3546441
1-(2-phenylethyl)-1H-pyrazole
CID 11126737
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16190778
1-ethyl-3-methyl-4-[(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
CID 2986538
1-[[4-(1-Methylpyrazol-4-yl)phenyl]methyl]-4-phenyltriazole
CID 151105657
((1-benzyl-1H-pyrazol-4-yl)methyl)(methyl)amine
CID 7131412
1-Benzyl-4-iodo-1H-pyrazole
CID 3794579
1-Methyl-4-phenyl-1H-pyrazole
CID 13692442
3-(1-Benzylpyrazol-4-yl)pyridine
CID 42628230

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole?
The IUPAC name of 1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole (CID 15190534) is 1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole.
What is the SMILES notation for 1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole?
The canonical SMILES for 1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole is c1ccc(Cn2cccn2)c(Cn2cccn2)c1.
What is the InChIKey of 1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole?
The InChIKey is WYDYQKCRKGWYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-2-6-14(12-18-10-4-8-16-18)13(5-1)11-17-9-3-7-15-17/h1-10H,11-12H2.
What are the key properties of 1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole?
1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole has a molecular weight of 238.29 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole is sourced from PubChem (CID 15190534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).