(1-methoxycyclohexyl)-(2-propylpyrazol-3-yl)methanone

C14H22N2O2 — CID 116748199

IUPAC(1-methoxycyclohexyl)-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)C1(OC)CCCCC1
InChIInChI=1S/C14H22N2O2/c1-3-11-16-12(7-10-15-16)13(17)14(18-2)8-5-4-6-9-14/h7,10H,3-6,8-9,11H2,1-2H3
InChIKeyDCSUCDQCKCRGMW-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.83
Rot. Bonds5

About (1-methoxycyclohexyl)-(2-propylpyrazol-3-yl)methanone

(1-methoxycyclohexyl)-(2-propylpyrazol-3-yl)methanone (PubChem CID 116748199) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (1-methoxycyclohexyl)-(2-propylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(1-methoxycyclohexyl)-(2-propylpyrazol-3-yl)methanone
PubChem CID116748199
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(1-methoxycyclohexyl)-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)C1(OC)CCCCC1
InChIInChI=1S/C14H22N2O2/c1-3-11-16-12(7-10-15-16)13(17)14(18-2)8-5-4-6-9-14/h7,10H,3-6,8-9,11H2,1-2H3
InChIKeyDCSUCDQCKCRGMW-UHFFFAOYSA-N
XLogP2.83
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methoxycyclopentyl)-(2-propylpyrazol-3-yl)methanone
CID 104610116
(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methanone
CID 116750647
(4-methoxypiperidin-4-yl)-(2-propylpyrazol-3-yl)methanone
CID 114284479
[1-(dimethylamino)cyclohexyl]-(2-propylpyrazol-3-yl)methanone
CID 79066194
[1-(dimethylamino)cycloheptyl]-(2-propylpyrazol-3-yl)methanone
CID 79074268
(2-propylpyrazol-3-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 79060145
(1-ethoxy-4,4-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methanone
CID 116750146
(2-methylpyrrolidin-2-yl)-(2-propylpyrazol-3-yl)methanone
CID 116580459
(1-methoxycyclopentyl)-(2-phenylpyrazol-3-yl)methanone
CID 107330230
(1-phenylcyclopropyl)-(2-propylpyrazol-3-yl)methanone
CID 63975501
azepan-1-yl-(2-propylpyrazol-3-yl)methanone
CID 35522312
2-propylpyrazole-3-carboxylic acid
CID 7017775

Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclohexyl)-(2-propylpyrazol-3-yl)methanone?
The IUPAC name of (1-methoxycyclohexyl)-(2-propylpyrazol-3-yl)methanone (CID 116748199) is (1-methoxycyclohexyl)-(2-propylpyrazol-3-yl)methanone.
What is the SMILES notation for (1-methoxycyclohexyl)-(2-propylpyrazol-3-yl)methanone?
The canonical SMILES for (1-methoxycyclohexyl)-(2-propylpyrazol-3-yl)methanone is CCCn1nccc1C(=O)C1(OC)CCCCC1.
What is the InChIKey of (1-methoxycyclohexyl)-(2-propylpyrazol-3-yl)methanone?
The InChIKey is DCSUCDQCKCRGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-11-16-12(7-10-15-16)13(17)14(18-2)8-5-4-6-9-14/h7,10H,3-6,8-9,11H2,1-2H3.
What are the key properties of (1-methoxycyclohexyl)-(2-propylpyrazol-3-yl)methanone?
(1-methoxycyclohexyl)-(2-propylpyrazol-3-yl)methanone has a molecular weight of 250.34 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclohexyl)-(2-propylpyrazol-3-yl)methanone is sourced from PubChem (CID 116748199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).