1-cyclopentyl-4-[(1-methylpyrrolidin-3-yl)methoxy]pyrazole

C14H23N3O — CID 117233841

IUPAC1-cyclopentyl-4-[(1-methylpyrrolidin-3-yl)methoxy]pyrazole
SMILESCN1CCC(COc2cnn(C3CCCC3)c2)C1
InChIInChI=1S/C14H23N3O/c1-16-7-6-12(9-16)11-18-14-8-15-17(10-14)13-4-2-3-5-13/h8,10,12-13H,2-7,9,11H2,1H3
InChIKeyUCRWMSVTCMNFGL-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.33
Rot. Bonds4

About 1-cyclopentyl-4-[(1-methylpyrrolidin-3-yl)methoxy]pyrazole

1-cyclopentyl-4-[(1-methylpyrrolidin-3-yl)methoxy]pyrazole (PubChem CID 117233841) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-cyclopentyl-4-[(1-methylpyrrolidin-3-yl)methoxy]pyrazole.

Molecular Properties

Compound Name1-cyclopentyl-4-[(1-methylpyrrolidin-3-yl)methoxy]pyrazole
PubChem CID117233841
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-cyclopentyl-4-[(1-methylpyrrolidin-3-yl)methoxy]pyrazole
SMILESCN1CCC(COc2cnn(C3CCCC3)c2)C1
InChIInChI=1S/C14H23N3O/c1-16-7-6-12(9-16)11-18-14-8-15-17(10-14)13-4-2-3-5-13/h8,10,12-13H,2-7,9,11H2,1H3
InChIKeyUCRWMSVTCMNFGL-UHFFFAOYSA-N
XLogP2.33
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-4-[(1-methylpyrrolidin-2-yl)methoxy]pyrazole
CID 117233942
1-cyclopentyl-4-(thiolan-3-ylmethoxy)pyrazole
CID 117233842
1-cyclohexyl-4-(thian-4-ylmethoxy)pyrazole
CID 117233866
1-cyclopentyl-4-(thian-3-ylmethoxy)pyrazole
CID 117233974
1-cyclohexyl-4-(thian-3-ylmethoxy)pyrazole
CID 117233979
1-cyclohexyl-4-(3-methoxypropoxy)pyrazole
CID 117233784
2-[(1-cyclopentylpyrazol-4-yl)oxymethyl]thiolane 1,1-dioxide
CID 117233939
1-cyclopentyl-4-(thiolan-2-ylmethoxy)pyrazole
CID 117233938
1-cyclopentyl-4-[(2-methylphenyl)methoxy]pyrazole
CID 117234055
1-methylsulfonyl-3-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]piperidine
CID 116805394
1-cyclohexyl-4-(furan-2-ylmethoxy)pyrazole
CID 117234155
1-cyclopentyl-4-[(3-fluorophenyl)methoxy]pyrazole
CID 117234033

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[(1-methylpyrrolidin-3-yl)methoxy]pyrazole?
The IUPAC name of 1-cyclopentyl-4-[(1-methylpyrrolidin-3-yl)methoxy]pyrazole (CID 117233841) is 1-cyclopentyl-4-[(1-methylpyrrolidin-3-yl)methoxy]pyrazole.
What is the SMILES notation for 1-cyclopentyl-4-[(1-methylpyrrolidin-3-yl)methoxy]pyrazole?
The canonical SMILES for 1-cyclopentyl-4-[(1-methylpyrrolidin-3-yl)methoxy]pyrazole is CN1CCC(COc2cnn(C3CCCC3)c2)C1.
What is the InChIKey of 1-cyclopentyl-4-[(1-methylpyrrolidin-3-yl)methoxy]pyrazole?
The InChIKey is UCRWMSVTCMNFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-16-7-6-12(9-16)11-18-14-8-15-17(10-14)13-4-2-3-5-13/h8,10,12-13H,2-7,9,11H2,1H3.
What are the key properties of 1-cyclopentyl-4-[(1-methylpyrrolidin-3-yl)methoxy]pyrazole?
1-cyclopentyl-4-[(1-methylpyrrolidin-3-yl)methoxy]pyrazole has a molecular weight of 249.36 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[(1-methylpyrrolidin-3-yl)methoxy]pyrazole is sourced from PubChem (CID 117233841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).