3-(1-cyclopropylpyrazol-4-yl)-4-methyl-1-phenylpyrazole

C16H16N4 — CID 142747374

IUPAC3-(1-cyclopropylpyrazol-4-yl)-4-methyl-1-phenylpyrazole
SMILESCc1cn(-c2ccccc2)nc1-c1cnn(C2CC2)c1
InChIInChI=1S/C16H16N4/c1-12-10-20(14-5-3-2-4-6-14)18-16(12)13-9-17-19(11-13)15-7-8-15/h2-6,9-11,15H,7-8H2,1H3
InChIKeyUUOWQLLDTUIVIB-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.38
Rot. Bonds3

About 3-(1-cyclopropylpyrazol-4-yl)-4-methyl-1-phenylpyrazole

3-(1-cyclopropylpyrazol-4-yl)-4-methyl-1-phenylpyrazole (PubChem CID 142747374) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-(1-cyclopropylpyrazol-4-yl)-4-methyl-1-phenylpyrazole.

Molecular Properties

Compound Name3-(1-cyclopropylpyrazol-4-yl)-4-methyl-1-phenylpyrazole
PubChem CID142747374
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name3-(1-cyclopropylpyrazol-4-yl)-4-methyl-1-phenylpyrazole
SMILESCc1cn(-c2ccccc2)nc1-c1cnn(C2CC2)c1
InChIInChI=1S/C16H16N4/c1-12-10-20(14-5-3-2-4-6-14)18-16(12)13-9-17-19(11-13)15-7-8-15/h2-6,9-11,15H,7-8H2,1H3
InChIKeyUUOWQLLDTUIVIB-UHFFFAOYSA-N
XLogP3.38
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-methyl-1-phenylpyrazol-3-yl)pyrazol-1-yl]ethanol
CID 142747346
2-methyl-4-(4-methyl-1-phenylpyrazol-3-yl)triazole
CID 141352931
1-(4-chlorophenyl)-4-methyl-3-phenylpyrazole
CID 683196
1-(2-fluorophenyl)-4-methyl-3-(1-methylpyrazol-4-yl)pyrazole
CID 142747348
3-(4-phenylpyrazol-1-yl)cyclopentan-1-ol
CID 79632343
3-(4-methyl-3-pyridin-4-ylpyrazol-1-yl)pyridine
CID 158876961
4-methyl-1-phenylpyrazol-3-amine
CID 12847947
1-cyclopropyl-4-(4-propan-2-ylphenyl)pyrazole
CID 121383014
2-(4-methyl-1-phenylpyrazol-3-yl)ethanol
CID 142747347
2-(1-cycloheptylpyrazol-4-yl)aniline
CID 82927063
1,3,4-triphenylpyrazole
CID 555882
5-(1-cyclohexylpyrazol-4-yl)-3-methylpyridine-2-carboxylic acid
CID 171365297

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylpyrazol-4-yl)-4-methyl-1-phenylpyrazole?
The IUPAC name of 3-(1-cyclopropylpyrazol-4-yl)-4-methyl-1-phenylpyrazole (CID 142747374) is 3-(1-cyclopropylpyrazol-4-yl)-4-methyl-1-phenylpyrazole.
What is the SMILES notation for 3-(1-cyclopropylpyrazol-4-yl)-4-methyl-1-phenylpyrazole?
The canonical SMILES for 3-(1-cyclopropylpyrazol-4-yl)-4-methyl-1-phenylpyrazole is Cc1cn(-c2ccccc2)nc1-c1cnn(C2CC2)c1.
What is the InChIKey of 3-(1-cyclopropylpyrazol-4-yl)-4-methyl-1-phenylpyrazole?
The InChIKey is UUOWQLLDTUIVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-12-10-20(14-5-3-2-4-6-14)18-16(12)13-9-17-19(11-13)15-7-8-15/h2-6,9-11,15H,7-8H2,1H3.
What are the key properties of 3-(1-cyclopropylpyrazol-4-yl)-4-methyl-1-phenylpyrazole?
3-(1-cyclopropylpyrazol-4-yl)-4-methyl-1-phenylpyrazole has a molecular weight of 264.33 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylpyrazol-4-yl)-4-methyl-1-phenylpyrazole is sourced from PubChem (CID 142747374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).