1-(4-methyl-3-pyridinyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone

C14H17N3O — CID 114877690

IUPAC1-(4-methyl-3-pyridinyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
SMILESCc1ccncc1C(=O)Cc1ccn(C(C)C)n1
InChIInChI=1S/C14H17N3O/c1-10(2)17-7-5-12(16-17)8-14(18)13-9-15-6-4-11(13)3/h4-7,9-10H,8H2,1-3H3
InChIKeyKRSSNOGPCHXZHP-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.59
Rot. Bonds4

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

1-(4-methyl-3-pyridinyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone (PubChem CID 114877690) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(4-methyl-3-pyridinyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-methyl-3-pyridinyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
PubChem CID114877690
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(4-methyl-3-pyridinyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
SMILESCc1ccncc1C(=O)Cc1ccn(C(C)C)n1
InChIInChI=1S/C14H17N3O/c1-10(2)17-7-5-12(16-17)8-14(18)13-9-15-6-4-11(13)3/h4-7,9-10H,8H2,1-3H3
InChIKeyKRSSNOGPCHXZHP-UHFFFAOYSA-N
XLogP2.59
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylpyrazol-3-yl)-1-(4-methyl-3-pyridinyl)ethanone
CID 114877704
2-(1-propan-2-ylpyrazol-3-yl)-1-pyrazin-2-ylethanone
CID 64770824
2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanone
CID 64772423
1-(3,5-difluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 64771713
1-(5-bromo-2-chlorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 114975652
1-(4-methyl-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105113419
1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 114033636
1-(4-bromo-2-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 114905960
1-(2-bromo-5-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 114026833
1-amino-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
CID 116548395
4-amino-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-one
CID 116596719
1-(4-methylsulfanylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 114975739

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-pyridinyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(4-methyl-3-pyridinyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone (CID 114877690) is 1-(4-methyl-3-pyridinyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(4-methyl-3-pyridinyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(4-methyl-3-pyridinyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone is Cc1ccncc1C(=O)Cc1ccn(C(C)C)n1.
What is the InChIKey of 1-(4-methyl-3-pyridinyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The InChIKey is KRSSNOGPCHXZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10(2)17-7-5-12(16-17)8-14(18)13-9-15-6-4-11(13)3/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 1-(4-methyl-3-pyridinyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
1-(4-methyl-3-pyridinyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone has a molecular weight of 243.31 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-pyridinyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone is sourced from PubChem (CID 114877690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).