5-chloro-4-cyclopentyloxy-1-(oxan-3-ylmethyl)pyrazole

C14H21ClN2O2 — CID 117232356

IUPAC5-chloro-4-cyclopentyloxy-1-(oxan-3-ylmethyl)pyrazole
SMILESClc1c(OC2CCCC2)cnn1CC1CCCOC1
InChIInChI=1S/C14H21ClN2O2/c15-14-13(19-12-5-1-2-6-12)8-16-17(14)9-11-4-3-7-18-10-11/h8,11-12H,1-7,9-10H2
InChIKeyBIAIRQGSVCUIKR-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.28
Rot. Bonds4

About 5-chloro-4-cyclopentyloxy-1-(oxan-3-ylmethyl)pyrazole

5-chloro-4-cyclopentyloxy-1-(oxan-3-ylmethyl)pyrazole (PubChem CID 117232356) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 5-chloro-4-cyclopentyloxy-1-(oxan-3-ylmethyl)pyrazole.

Molecular Properties

Compound Name5-chloro-4-cyclopentyloxy-1-(oxan-3-ylmethyl)pyrazole
PubChem CID117232356
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name5-chloro-4-cyclopentyloxy-1-(oxan-3-ylmethyl)pyrazole
SMILESClc1c(OC2CCCC2)cnn1CC1CCCOC1
InChIInChI=1S/C14H21ClN2O2/c15-14-13(19-12-5-1-2-6-12)8-16-17(14)9-11-4-3-7-18-10-11/h8,11-12H,1-7,9-10H2
InChIKeyBIAIRQGSVCUIKR-UHFFFAOYSA-N
XLogP3.28
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-(oxan-3-ylmethyl)pyrazol-4-ol
CID 117232364
5-chloro-4-cyclohexyloxy-1-(oxan-3-yl)pyrazole
CID 117232039
5-chloro-4-cyclohexyloxy-1-[(1-methylpyrrolidin-3-yl)methyl]pyrazole
CID 117231920
5-chloro-4-cyclopentyloxy-1-(2-methoxyethyl)pyrazole
CID 117231738
2-(5-chloro-4-cyclohexyloxypyrazol-1-yl)-N,N-dimethylethanamine
CID 117233230
5-bromo-1-(oxan-3-ylmethyl)pyrazol-4-ol
CID 117232366
4-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol
CID 117232690
1-[2-(5-chloro-4-cyclopentyloxypyrazol-1-yl)ethyl]-4-methylpiperazine
CID 117233181
5-chloro-4-methoxy-1-(oxan-4-ylmethyl)pyrazole
CID 117231984
2-[(5-chloro-4-cyclohexyloxypyrazol-1-yl)methyl]phenol
CID 117232626
5-chloro-2-(cyclobutylmethyl)-4-(oxan-3-ylmethylamino)pyridazin-3-one
CID 114434443
4-nitro-1-(oxan-3-ylmethyl)pyrazol-5-amine
CID 63741815

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-cyclopentyloxy-1-(oxan-3-ylmethyl)pyrazole?
The IUPAC name of 5-chloro-4-cyclopentyloxy-1-(oxan-3-ylmethyl)pyrazole (CID 117232356) is 5-chloro-4-cyclopentyloxy-1-(oxan-3-ylmethyl)pyrazole.
What is the SMILES notation for 5-chloro-4-cyclopentyloxy-1-(oxan-3-ylmethyl)pyrazole?
The canonical SMILES for 5-chloro-4-cyclopentyloxy-1-(oxan-3-ylmethyl)pyrazole is Clc1c(OC2CCCC2)cnn1CC1CCCOC1.
What is the InChIKey of 5-chloro-4-cyclopentyloxy-1-(oxan-3-ylmethyl)pyrazole?
The InChIKey is BIAIRQGSVCUIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c15-14-13(19-12-5-1-2-6-12)8-16-17(14)9-11-4-3-7-18-10-11/h8,11-12H,1-7,9-10H2.
What are the key properties of 5-chloro-4-cyclopentyloxy-1-(oxan-3-ylmethyl)pyrazole?
5-chloro-4-cyclopentyloxy-1-(oxan-3-ylmethyl)pyrazole has a molecular weight of 284.79 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-cyclopentyloxy-1-(oxan-3-ylmethyl)pyrazole is sourced from PubChem (CID 117232356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).