(4-propan-2-ylcyclohexyl)-(2-propylpyrazol-3-yl)methanone

C16H26N2O — CID 65424270

IUPAC(4-propan-2-ylcyclohexyl)-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)C1CCC(C(C)C)CC1
InChIInChI=1S/C16H26N2O/c1-4-11-18-15(9-10-17-18)16(19)14-7-5-13(6-8-14)12(2)3/h9-10,12-14H,4-8,11H2,1-3H3
InChIKeyNUGWBAULNJPEGU-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.94
Rot. Bonds5

About (4-propan-2-ylcyclohexyl)-(2-propylpyrazol-3-yl)methanone

(4-propan-2-ylcyclohexyl)-(2-propylpyrazol-3-yl)methanone (PubChem CID 65424270) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (4-propan-2-ylcyclohexyl)-(2-propylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(4-propan-2-ylcyclohexyl)-(2-propylpyrazol-3-yl)methanone
PubChem CID65424270
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(4-propan-2-ylcyclohexyl)-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)C1CCC(C(C)C)CC1
InChIInChI=1S/C16H26N2O/c1-4-11-18-15(9-10-17-18)16(19)14-7-5-13(6-8-14)12(2)3/h9-10,12-14H,4-8,11H2,1-3H3
InChIKeyNUGWBAULNJPEGU-UHFFFAOYSA-N
XLogP3.94
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylcyclohexyl)-(2-propylpyrazol-3-yl)methanone?
The IUPAC name of (4-propan-2-ylcyclohexyl)-(2-propylpyrazol-3-yl)methanone (CID 65424270) is (4-propan-2-ylcyclohexyl)-(2-propylpyrazol-3-yl)methanone.
What is the SMILES notation for (4-propan-2-ylcyclohexyl)-(2-propylpyrazol-3-yl)methanone?
The canonical SMILES for (4-propan-2-ylcyclohexyl)-(2-propylpyrazol-3-yl)methanone is CCCn1nccc1C(=O)C1CCC(C(C)C)CC1.
What is the InChIKey of (4-propan-2-ylcyclohexyl)-(2-propylpyrazol-3-yl)methanone?
The InChIKey is NUGWBAULNJPEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-11-18-15(9-10-17-18)16(19)14-7-5-13(6-8-14)12(2)3/h9-10,12-14H,4-8,11H2,1-3H3.
What are the key properties of (4-propan-2-ylcyclohexyl)-(2-propylpyrazol-3-yl)methanone?
(4-propan-2-ylcyclohexyl)-(2-propylpyrazol-3-yl)methanone has a molecular weight of 262.40 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylcyclohexyl)-(2-propylpyrazol-3-yl)methanone is sourced from PubChem (CID 65424270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).