4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine

C12H15N3 — CID 118344839

IUPAC4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine
SMILESCc1cc(C(C)C)n(-c2ccncc2)n1
InChIInChI=1S/C12H15N3/c1-9(2)12-8-10(3)14-15(12)11-4-6-13-7-5-11/h4-9H,1-3H3
InChIKeyUANNOMIDUUCXRK-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.70
Rot. Bonds2

About 4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine

4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine (PubChem CID 118344839) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine.

Molecular Properties

Compound Name4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine
PubChem CID118344839
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine
SMILESCc1cc(C(C)C)n(-c2ccncc2)n1
InChIInChI=1S/C12H15N3/c1-9(2)12-8-10(3)14-15(12)11-4-6-13-7-5-11/h4-9H,1-3H3
InChIKeyUANNOMIDUUCXRK-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

4-(3-methyl-5-phenylpyrazol-1-yl)pyridine
CID 12069784
1-(4-methylphenyl)-5-propan-2-ylpyrazole-3-carbaldehyde
CID 115036746
butane;1-[4-(2,2-difluoroethyl)phenyl]-3-methyl-5-propan-2-ylpyrazole;3-methylheptane
CID 176921683
1,3-dimethyl-5-propan-2-ylpyrazole;1,5-di(propan-2-yl)-3-(trifluoromethyl)pyrazole;1-(4-fluoro-3-methylphenyl)-N,N-dimethyl-5-propan-2-ylpyrazole-3-carboxamide;3-methyl-1,5-di(propan-2-yl)pyrazole;4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 161346798
1-(4-methylphenyl)-5-propan-2-ylpyrazole-3-carboxylic acid
CID 22831933
1-(4-hydroxyphenyl)-5-propan-2-ylpyrazole-3-carbaldehyde
CID 115037723
1-(4-bromophenyl)-5-propan-2-ylpyrazole-3-carbaldehyde
CID 115053033
1-phenyl-5-propan-2-ylpyrazole-3-carbonitrile
CID 39242818
3-(bromomethyl)-1-phenyl-5-propan-2-ylpyrazole
CID 22832010
(5-methyl-2-phenylpyrazol-3-yl) 2-methylpropanoate
CID 155801750
4-(3-ethyl-5-methylpyrazol-1-yl)pyridine
CID 133059743
2-propan-2-yl-1,5-diazabicyclo[2.1.0]penta-2,4-diene
CID 155057395

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine?
The IUPAC name of 4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine (CID 118344839) is 4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine.
What is the SMILES notation for 4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine?
The canonical SMILES for 4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine is Cc1cc(C(C)C)n(-c2ccncc2)n1.
What is the InChIKey of 4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine?
The InChIKey is UANNOMIDUUCXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-9(2)12-8-10(3)14-15(12)11-4-6-13-7-5-11/h4-9H,1-3H3.
What are the key properties of 4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine?
4-(3-methyl-5-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 4-(3-methyl-5-propan-2-ylpyrazol-1-yl)pyridine is sourced from PubChem (CID 118344839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).