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

C13H20N2O2 — CID 104610116

IUPAC(1-methoxycyclopentyl)-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)C1(OC)CCCC1
InChIInChI=1S/C13H20N2O2/c1-3-10-15-11(6-9-14-15)12(16)13(17-2)7-4-5-8-13/h6,9H,3-5,7-8,10H2,1-2H3
InChIKeyTYJTVMPKYBBYSR-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.43
Rot. Bonds5

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

(1-methoxycyclopentyl)-(2-propylpyrazol-3-yl)methanone (PubChem CID 104610116) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (1-methoxycyclopentyl)-(2-propylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(1-methoxycyclopentyl)-(2-propylpyrazol-3-yl)methanone
PubChem CID104610116
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(1-methoxycyclopentyl)-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)C1(OC)CCCC1
InChIInChI=1S/C13H20N2O2/c1-3-10-15-11(6-9-14-15)12(16)13(17-2)7-4-5-8-13/h6,9H,3-5,7-8,10H2,1-2H3
InChIKeyTYJTVMPKYBBYSR-UHFFFAOYSA-N
XLogP2.43
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-methoxycyclopentyl)-(2-propylpyrazol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-methoxycyclohexyl)-(2-propylpyrazol-3-yl)methanone
CID 116748199
(4-methoxypiperidin-4-yl)-(2-propylpyrazol-3-yl)methanone
CID 114284479
(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methanone
CID 116750647
(2-propylpyrazol-3-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 79060145
[1-(dimethylamino)cycloheptyl]-(2-propylpyrazol-3-yl)methanone
CID 79074268
[1-(dimethylamino)cyclohexyl]-(2-propylpyrazol-3-yl)methanone
CID 79066194
(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
2-propylpyrazole-3-carboxylic acid
CID 7017775
(2-ethylpyrazol-3-yl)-(1-methylcyclopentyl)methanone
CID 114972401

Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclopentyl)-(2-propylpyrazol-3-yl)methanone?
The IUPAC name of (1-methoxycyclopentyl)-(2-propylpyrazol-3-yl)methanone (CID 104610116) is (1-methoxycyclopentyl)-(2-propylpyrazol-3-yl)methanone.
What is the SMILES notation for (1-methoxycyclopentyl)-(2-propylpyrazol-3-yl)methanone?
The canonical SMILES for (1-methoxycyclopentyl)-(2-propylpyrazol-3-yl)methanone is CCCn1nccc1C(=O)C1(OC)CCCC1.
What is the InChIKey of (1-methoxycyclopentyl)-(2-propylpyrazol-3-yl)methanone?
The InChIKey is TYJTVMPKYBBYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-10-15-11(6-9-14-15)12(16)13(17-2)7-4-5-8-13/h6,9H,3-5,7-8,10H2,1-2H3.
What are the key properties of (1-methoxycyclopentyl)-(2-propylpyrazol-3-yl)methanone?
(1-methoxycyclopentyl)-(2-propylpyrazol-3-yl)methanone has a molecular weight of 236.31 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclopentyl)-(2-propylpyrazol-3-yl)methanone is sourced from PubChem (CID 104610116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).