1-cyclopentyl-3-(pyrrolidin-3-ylmethoxymethyl)pyrazole

C14H23N3O — CID 64783422

IUPAC1-cyclopentyl-3-(pyrrolidin-3-ylmethoxymethyl)pyrazole
SMILESc1cn(C2CCCC2)nc1COCC1CCNC1
InChIInChI=1S/C14H23N3O/c1-2-4-14(3-1)17-8-6-13(16-17)11-18-10-12-5-7-15-9-12/h6,8,12,14-15H,1-5,7,9-11H2
InChIKeyQCMPWUAXFBHOGO-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.12
Rot. Bonds5

About 1-cyclopentyl-3-(pyrrolidin-3-ylmethoxymethyl)pyrazole

1-cyclopentyl-3-(pyrrolidin-3-ylmethoxymethyl)pyrazole (PubChem CID 64783422) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-cyclopentyl-3-(pyrrolidin-3-ylmethoxymethyl)pyrazole.

Molecular Properties

Compound Name1-cyclopentyl-3-(pyrrolidin-3-ylmethoxymethyl)pyrazole
PubChem CID64783422
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-cyclopentyl-3-(pyrrolidin-3-ylmethoxymethyl)pyrazole
SMILESc1cn(C2CCCC2)nc1COCC1CCNC1
InChIInChI=1S/C14H23N3O/c1-2-4-14(3-1)17-8-6-13(16-17)11-18-10-12-5-7-15-9-12/h6,8,12,14-15H,1-5,7,9-11H2
InChIKeyQCMPWUAXFBHOGO-UHFFFAOYSA-N
XLogP2.12
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-cyclopentylpyrazol-3-yl)methoxymethyl]morpholine
CID 114468422
1-methyl-3-(pyrrolidin-3-ylmethoxymethyl)pyrazole
CID 82870045
1-cyclopentyl-3-(3,3,3-trifluoropropoxymethyl)pyrazole
CID 122171879
1-[(1-cyclopentylpyrazol-3-yl)methoxy]-2-methylpropan-2-amine
CID 64784388
2-(1-cyclopentylpyrazol-3-yl)-1-pyrrolidin-3-ylethanone
CID 116568445
3-(azetidin-3-ylmethylsulfanylmethyl)-1-cyclohexylpyrazole
CID 66290739
2-(pyrrolidin-3-ylmethoxymethyl)quinoline
CID 46941556
1-[(1-cyclohexylpyrazol-3-yl)methoxy]-2-methylpropan-2-amine
CID 64784196
N-[2-[(1-cyclopentylpyrazol-3-yl)methoxy]ethyl]propan-2-amine
CID 64785550
N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethylpyrrolidin-3-amine
CID 64784435
3-[(1-cyclohexylpyrazol-3-yl)methoxymethyl]pentan-3-amine
CID 64784969
1-phenyl-3-(2-pyrrolidin-3-ylethoxymethyl)pyrazole
CID 114796055

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(pyrrolidin-3-ylmethoxymethyl)pyrazole?
The IUPAC name of 1-cyclopentyl-3-(pyrrolidin-3-ylmethoxymethyl)pyrazole (CID 64783422) is 1-cyclopentyl-3-(pyrrolidin-3-ylmethoxymethyl)pyrazole.
What is the SMILES notation for 1-cyclopentyl-3-(pyrrolidin-3-ylmethoxymethyl)pyrazole?
The canonical SMILES for 1-cyclopentyl-3-(pyrrolidin-3-ylmethoxymethyl)pyrazole is c1cn(C2CCCC2)nc1COCC1CCNC1.
What is the InChIKey of 1-cyclopentyl-3-(pyrrolidin-3-ylmethoxymethyl)pyrazole?
The InChIKey is QCMPWUAXFBHOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-4-14(3-1)17-8-6-13(16-17)11-18-10-12-5-7-15-9-12/h6,8,12,14-15H,1-5,7,9-11H2.
What are the key properties of 1-cyclopentyl-3-(pyrrolidin-3-ylmethoxymethyl)pyrazole?
1-cyclopentyl-3-(pyrrolidin-3-ylmethoxymethyl)pyrazole has a molecular weight of 249.36 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(pyrrolidin-3-ylmethoxymethyl)pyrazole is sourced from PubChem (CID 64783422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).