2-methyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine

C12H15N3 — CID 118593098

IUPAC2-methyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine
SMILESCc1cc(-n2ccc(C(C)C)n2)ccn1
InChIInChI=1S/C12H15N3/c1-9(2)12-5-7-15(14-12)11-4-6-13-10(3)8-11/h4-9H,1-3H3
InChIKeyWTBWEDNXJLMPKS-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.70
Rot. Bonds2

About 2-methyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine

2-methyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine (PubChem CID 118593098) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-methyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine.

Molecular Properties

Compound Name2-methyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine
PubChem CID118593098
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name2-methyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine
SMILESCc1cc(-n2ccc(C(C)C)n2)ccn1
InChIInChI=1S/C12H15N3/c1-9(2)12-5-7-15(14-12)11-4-6-13-10(3)8-11/h4-9H,1-3H3
InChIKeyWTBWEDNXJLMPKS-UHFFFAOYSA-N
XLogP2.70
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-5-(3-propan-2-ylpyrazol-1-yl)pyridazine
CID 118520435
N-[[4-(3-propan-2-ylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine
CID 62490912
1-(3-fluorophenyl)-3-propan-2-ylpyrazole
CID 66016724
6-methyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine-3-carboxylic acid
CID 81229099
[2-(3-propan-2-ylpyrazol-1-yl)-4-pyridinyl]methanol
CID 62491929
1-[2-bromo-4-(3-propan-2-ylpyrazol-1-yl)phenyl]ethanamine
CID 114069320
1-[5-(3-propan-2-ylpyrazol-1-yl)-2-pyridinyl]ethanamine
CID 83127100
1-[2-methyl-4-(3-propan-2-ylpyrazol-1-yl)phenyl]butan-2-amine
CID 63816771
5-methyl-2-(3-propan-2-ylpyrazol-1-yl)pyridin-4-amine
CID 83265766
5-[5-methyl-2-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]-3-propan-2-yl-1,2-oxazole
CID 50950296
1-(4-bromophenyl)-3-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole
CID 161157932
1-[3-(3-propan-2-ylpyrazol-1-yl)phenyl]butan-2-amine
CID 63943120

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine?
The IUPAC name of 2-methyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine (CID 118593098) is 2-methyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine.
What is the SMILES notation for 2-methyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine?
The canonical SMILES for 2-methyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine is Cc1cc(-n2ccc(C(C)C)n2)ccn1.
What is the InChIKey of 2-methyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine?
The InChIKey is WTBWEDNXJLMPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-9(2)12-5-7-15(14-12)11-4-6-13-10(3)8-11/h4-9H,1-3H3.
What are the key properties of 2-methyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine?
2-methyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine has a molecular weight of 201.27 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-propan-2-ylpyrazol-1-yl)pyridine is sourced from PubChem (CID 118593098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).