(1-cyclohexyl-3-ethylpyrazol-5-yl)-pyrrolidin-1-ylmethanone

C16H25N3O — CID 90875781

IUPAC(1-cyclohexyl-3-ethylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
SMILESCCc1cc(C(=O)N2CCCC2)n(C2CCCCC2)n1
InChIInChI=1S/C16H25N3O/c1-2-13-12-15(16(20)18-10-6-7-11-18)19(17-13)14-8-4-3-5-9-14/h12,14H,2-11H2,1H3
InChIKeyKYSAKDHDNDQODG-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.19
Rot. Bonds3

About (1-cyclohexyl-3-ethylpyrazol-5-yl)-pyrrolidin-1-ylmethanone

(1-cyclohexyl-3-ethylpyrazol-5-yl)-pyrrolidin-1-ylmethanone (PubChem CID 90875781) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (1-cyclohexyl-3-ethylpyrazol-5-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(1-cyclohexyl-3-ethylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
PubChem CID90875781
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(1-cyclohexyl-3-ethylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
SMILESCCc1cc(C(=O)N2CCCC2)n(C2CCCCC2)n1
InChIInChI=1S/C16H25N3O/c1-2-13-12-15(16(20)18-10-6-7-11-18)19(17-13)14-8-4-3-5-9-14/h12,14H,2-11H2,1H3
InChIKeyKYSAKDHDNDQODG-UHFFFAOYSA-N
XLogP3.19
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyl-3-ethylpyrazol-5-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (1-cyclohexyl-3-ethylpyrazol-5-yl)-pyrrolidin-1-ylmethanone (CID 90875781) is (1-cyclohexyl-3-ethylpyrazol-5-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (1-cyclohexyl-3-ethylpyrazol-5-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (1-cyclohexyl-3-ethylpyrazol-5-yl)-pyrrolidin-1-ylmethanone is CCc1cc(C(=O)N2CCCC2)n(C2CCCCC2)n1.
What is the InChIKey of (1-cyclohexyl-3-ethylpyrazol-5-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is KYSAKDHDNDQODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-13-12-15(16(20)18-10-6-7-11-18)19(17-13)14-8-4-3-5-9-14/h12,14H,2-11H2,1H3.
What are the key properties of (1-cyclohexyl-3-ethylpyrazol-5-yl)-pyrrolidin-1-ylmethanone?
(1-cyclohexyl-3-ethylpyrazol-5-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 275.40 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyl-3-ethylpyrazol-5-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 90875781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).