(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-methylcyclohexen-1-yl)methanone

C14H19ClN2O — CID 103451058

IUPAC(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-methylcyclohexen-1-yl)methanone
SMILESCC1CC=C(C(=O)c2c(Cl)cnn2C(C)C)CC1
InChIInChI=1S/C14H19ClN2O/c1-9(2)17-13(12(15)8-16-17)14(18)11-6-4-10(3)5-7-11/h6,8-10H,4-5,7H2,1-3H3
InChIKeyMYVUFHMZLNANMC-UHFFFAOYSA-N
MW266.77 g/mol
LogP4.05
Rot. Bonds3

About (4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-methylcyclohexen-1-yl)methanone

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-methylcyclohexen-1-yl)methanone (PubChem CID 103451058) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-methylcyclohexen-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-methylcyclohexen-1-yl)methanone
PubChem CID103451058
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-methylcyclohexen-1-yl)methanone
SMILESCC1CC=C(C(=O)c2c(Cl)cnn2C(C)C)CC1
InChIInChI=1S/C14H19ClN2O/c1-9(2)17-13(12(15)8-16-17)14(18)11-6-4-10(3)5-7-11/h6,8-10H,4-5,7H2,1-3H3
InChIKeyMYVUFHMZLNANMC-UHFFFAOYSA-N
XLogP4.05
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-methylcyclohexen-1-yl)methanone?
The IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-methylcyclohexen-1-yl)methanone (CID 103451058) is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-methylcyclohexen-1-yl)methanone.
What is the SMILES notation for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-methylcyclohexen-1-yl)methanone?
The canonical SMILES for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-methylcyclohexen-1-yl)methanone is CC1CC=C(C(=O)c2c(Cl)cnn2C(C)C)CC1.
What is the InChIKey of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-methylcyclohexen-1-yl)methanone?
The InChIKey is MYVUFHMZLNANMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-9(2)17-13(12(15)8-16-17)14(18)11-6-4-10(3)5-7-11/h6,8-10H,4-5,7H2,1-3H3.
What are the key properties of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-methylcyclohexen-1-yl)methanone?
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-methylcyclohexen-1-yl)methanone has a molecular weight of 266.77 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-methylcyclohexen-1-yl)methanone is sourced from PubChem (CID 103451058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).