(1-methylpyrazol-3-yl)-(3-propylphenyl)methanone

C14H16N2O — CID 116543263

IUPAC(1-methylpyrazol-3-yl)-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)c2ccn(C)n2)c1
InChIInChI=1S/C14H16N2O/c1-3-5-11-6-4-7-12(10-11)14(17)13-8-9-16(2)15-13/h4,6-10H,3,5H2,1-2H3
InChIKeyKSJQGTJYPJPJNV-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.60
Rot. Bonds4

About (1-methylpyrazol-3-yl)-(3-propylphenyl)methanone

(1-methylpyrazol-3-yl)-(3-propylphenyl)methanone (PubChem CID 116543263) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-(3-propylphenyl)methanone.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-(3-propylphenyl)methanone
PubChem CID116543263
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name(1-methylpyrazol-3-yl)-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)c2ccn(C)n2)c1
InChIInChI=1S/C14H16N2O/c1-3-5-11-6-4-7-12(10-11)14(17)13-8-9-16(2)15-13/h4,6-10H,3,5H2,1-2H3
InChIKeyKSJQGTJYPJPJNV-UHFFFAOYSA-N
XLogP2.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-diethoxyphenyl)-(1-methylpyrazol-3-yl)methanone
CID 65195255
(1-methylpyrazol-3-yl)-[3-(trifluoromethoxy)phenyl]methanone
CID 65195644
(3,5-dimethylphenyl)-(3-propylphenyl)methanone
CID 115811990
[3-(dimethylamino)phenyl]-(3-propylphenyl)methanone
CID 105133978
(3,4-dimethoxyphenyl)-(1-methylpyrazol-3-yl)methanone
CID 65195639
(1-methylpyrazol-3-yl)-(2-methylquinolin-6-yl)methanone
CID 81221022
methyl 3-propylbenzoate
CID 12861009
2-amino-1-(3-propylphenyl)ethanone
CID 116548428
(4-methylpiperazin-1-yl)-(3-propylphenyl)methanone
CID 70962080
(3-propoxyphenyl)-(3-propylphenyl)methanone
CID 115812256
(4-amino-3,5-dichlorophenyl)-(3-propylphenyl)methanone
CID 116609874
(3-amino-5-bromophenyl)-(1-methylpyrazol-3-yl)methanone
CID 103133436

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-(3-propylphenyl)methanone?
The IUPAC name of (1-methylpyrazol-3-yl)-(3-propylphenyl)methanone (CID 116543263) is (1-methylpyrazol-3-yl)-(3-propylphenyl)methanone.
What is the SMILES notation for (1-methylpyrazol-3-yl)-(3-propylphenyl)methanone?
The canonical SMILES for (1-methylpyrazol-3-yl)-(3-propylphenyl)methanone is CCCc1cccc(C(=O)c2ccn(C)n2)c1.
What is the InChIKey of (1-methylpyrazol-3-yl)-(3-propylphenyl)methanone?
The InChIKey is KSJQGTJYPJPJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-3-5-11-6-4-7-12(10-11)14(17)13-8-9-16(2)15-13/h4,6-10H,3,5H2,1-2H3.
What are the key properties of (1-methylpyrazol-3-yl)-(3-propylphenyl)methanone?
(1-methylpyrazol-3-yl)-(3-propylphenyl)methanone has a molecular weight of 228.29 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)-(3-propylphenyl)methanone is sourced from PubChem (CID 116543263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).