4-chloro-5-ethyl-1-(3-methylphenyl)-3-propan-2-ylpyrazole

C15H19ClN2 — CID 126742997

IUPAC4-chloro-5-ethyl-1-(3-methylphenyl)-3-propan-2-ylpyrazole
SMILESCCc1c(Cl)c(C(C)C)nn1-c1cccc(C)c1
InChIInChI=1S/C15H19ClN2/c1-5-13-14(16)15(10(2)3)17-18(13)12-8-6-7-11(4)9-12/h6-10H,5H2,1-4H3
InChIKeyZAOMUXPVEOPQJQ-UHFFFAOYSA-N
MW262.78 g/mol
LogP4.52
Rot. Bonds3

About 4-chloro-5-ethyl-1-(3-methylphenyl)-3-propan-2-ylpyrazole

4-chloro-5-ethyl-1-(3-methylphenyl)-3-propan-2-ylpyrazole (PubChem CID 126742997) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 4-chloro-5-ethyl-1-(3-methylphenyl)-3-propan-2-ylpyrazole.

Molecular Properties

Compound Name4-chloro-5-ethyl-1-(3-methylphenyl)-3-propan-2-ylpyrazole
PubChem CID126742997
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name4-chloro-5-ethyl-1-(3-methylphenyl)-3-propan-2-ylpyrazole
SMILESCCc1c(Cl)c(C(C)C)nn1-c1cccc(C)c1
InChIInChI=1S/C15H19ClN2/c1-5-13-14(16)15(10(2)3)17-18(13)12-8-6-7-11(4)9-12/h6-10H,5H2,1-4H3
InChIKeyZAOMUXPVEOPQJQ-UHFFFAOYSA-N
XLogP4.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[5-chloro-1-(3-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanol
CID 43333662
5-ethyl-1-(3-methylphenyl)-N-(2-methylpropyl)-3-propan-2-ylpyrazole-4-carboxamide
CID 42820321
5-methyl-1-(3-methylphenyl)-4-propan-2-yltriazole
CID 170030388
4-(bromomethyl)-5-ethyl-1-(3-methylphenyl)pyrazole
CID 66436392
1-(3,4-dichlorophenyl)-5-ethyl-3-propan-2-ylpyrazole-4-carboxylic acid
CID 42819828
[1-(3-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine
CID 82081655
5-(chloromethyl)-1-(3-methylphenyl)-1,2,4-triazole
CID 107447277
1-(3-methylphenyl)-3-propan-2-ylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 43328356
4-chloro-5-(diethylamino)-2-(3-methylphenyl)pyridazin-3-one
CID 24997707
2-methyl-N-[[2-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
CID 107447443
5-chloro-1-(3-chlorophenyl)-3-propan-2-ylpyrazole-4-carbonitrile
CID 63788951
4-chloro-5-methyl-2-(3-methylphenyl)pyridazin-3-one
CID 126527319

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-1-(3-methylphenyl)-3-propan-2-ylpyrazole?
The IUPAC name of 4-chloro-5-ethyl-1-(3-methylphenyl)-3-propan-2-ylpyrazole (CID 126742997) is 4-chloro-5-ethyl-1-(3-methylphenyl)-3-propan-2-ylpyrazole.
What is the SMILES notation for 4-chloro-5-ethyl-1-(3-methylphenyl)-3-propan-2-ylpyrazole?
The canonical SMILES for 4-chloro-5-ethyl-1-(3-methylphenyl)-3-propan-2-ylpyrazole is CCc1c(Cl)c(C(C)C)nn1-c1cccc(C)c1.
What is the InChIKey of 4-chloro-5-ethyl-1-(3-methylphenyl)-3-propan-2-ylpyrazole?
The InChIKey is ZAOMUXPVEOPQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-5-13-14(16)15(10(2)3)17-18(13)12-8-6-7-11(4)9-12/h6-10H,5H2,1-4H3.
What are the key properties of 4-chloro-5-ethyl-1-(3-methylphenyl)-3-propan-2-ylpyrazole?
4-chloro-5-ethyl-1-(3-methylphenyl)-3-propan-2-ylpyrazole has a molecular weight of 262.78 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-1-(3-methylphenyl)-3-propan-2-ylpyrazole is sourced from PubChem (CID 126742997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).