3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylcyclopentan-1-one

C12H17ClN2O — CID 114663690

IUPAC3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylcyclopentan-1-one
SMILESCC1C(=O)CCC1c1c(Cl)cnn1C(C)C
InChIInChI=1S/C12H17ClN2O/c1-7(2)15-12(10(13)6-14-15)9-4-5-11(16)8(9)3/h6-9H,4-5H2,1-3H3
InChIKeyHSOQHGCRXVFFIM-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.20
Rot. Bonds2

About 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylcyclopentan-1-one

3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylcyclopentan-1-one (PubChem CID 114663690) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylcyclopentan-1-one.

Molecular Properties

Compound Name3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylcyclopentan-1-one
PubChem CID114663690
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylcyclopentan-1-one
SMILESCC1C(=O)CCC1c1c(Cl)cnn1C(C)C
InChIInChI=1S/C12H17ClN2O/c1-7(2)15-12(10(13)6-14-15)9-4-5-11(16)8(9)3/h6-9H,4-5H2,1-3H3
InChIKeyHSOQHGCRXVFFIM-UHFFFAOYSA-N
XLogP3.20
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylcyclopentan-1-one?
The IUPAC name of 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylcyclopentan-1-one (CID 114663690) is 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylcyclopentan-1-one.
What is the SMILES notation for 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylcyclopentan-1-one?
The canonical SMILES for 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylcyclopentan-1-one is CC1C(=O)CCC1c1c(Cl)cnn1C(C)C.
What is the InChIKey of 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylcyclopentan-1-one?
The InChIKey is HSOQHGCRXVFFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-7(2)15-12(10(13)6-14-15)9-4-5-11(16)8(9)3/h6-9H,4-5H2,1-3H3.
What are the key properties of 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylcyclopentan-1-one?
3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylcyclopentan-1-one has a molecular weight of 240.73 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylcyclopentan-1-one is sourced from PubChem (CID 114663690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).