2-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-3-methylpyridine

C16H19N3 — CID 166993578

IUPAC2-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-3-methylpyridine
SMILESCc1cccnc1-c1cn(C2CCC2)nc1C1CC1
InChIInChI=1S/C16H19N3/c1-11-4-3-9-17-15(11)14-10-19(13-5-2-6-13)18-16(14)12-7-8-12/h3-4,9-10,12-13H,2,5-8H2,1H3
InChIKeyOBXCMIGZLMTCOZ-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.86
Rot. Bonds3

About 2-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-3-methylpyridine

2-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-3-methylpyridine (PubChem CID 166993578) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-3-methylpyridine.

Molecular Properties

Compound Name2-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-3-methylpyridine
PubChem CID166993578
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name2-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-3-methylpyridine
SMILESCc1cccnc1-c1cn(C2CCC2)nc1C1CC1
InChIInChI=1S/C16H19N3/c1-11-4-3-9-17-15(11)14-10-19(13-5-2-6-13)18-16(14)12-7-8-12/h3-4,9-10,12-13H,2,5-8H2,1H3
InChIKeyOBXCMIGZLMTCOZ-UHFFFAOYSA-N
XLogP3.86
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-3-methylpyridine?
The IUPAC name of 2-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-3-methylpyridine (CID 166993578) is 2-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-3-methylpyridine.
What is the SMILES notation for 2-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-3-methylpyridine?
The canonical SMILES for 2-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-3-methylpyridine is Cc1cccnc1-c1cn(C2CCC2)nc1C1CC1.
What is the InChIKey of 2-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-3-methylpyridine?
The InChIKey is OBXCMIGZLMTCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-11-4-3-9-17-15(11)14-10-19(13-5-2-6-13)18-16(14)12-7-8-12/h3-4,9-10,12-13H,2,5-8H2,1H3.
What are the key properties of 2-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-3-methylpyridine?
2-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-3-methylpyridine has a molecular weight of 253.35 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclobutyl-3-cyclopropylpyrazol-4-yl)-3-methylpyridine is sourced from PubChem (CID 166993578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).