[3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-cyclopropyloxolan-3-yl]methanol

C16H25ClN2O2 — CID 104510437

IUPAC[3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-cyclopropyloxolan-3-yl]methanol
SMILESCCc1nn(CC)c(CC2(CO)CCOC2C2CC2)c1Cl
InChIInChI=1S/C16H25ClN2O2/c1-3-12-14(17)13(19(4-2)18-12)9-16(10-20)7-8-21-15(16)11-5-6-11/h11,15,20H,3-10H2,1-2H3
InChIKeyQRNJAOIYSYWKDV-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.84
Rot. Bonds6

About [3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-cyclopropyloxolan-3-yl]methanol

[3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-cyclopropyloxolan-3-yl]methanol (PubChem CID 104510437) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is [3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-cyclopropyloxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-cyclopropyloxolan-3-yl]methanol
PubChem CID104510437
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name[3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-cyclopropyloxolan-3-yl]methanol
SMILESCCc1nn(CC)c(CC2(CO)CCOC2C2CC2)c1Cl
InChIInChI=1S/C16H25ClN2O2/c1-3-12-14(17)13(19(4-2)18-12)9-16(10-20)7-8-21-15(16)11-5-6-11/h11,15,20H,3-10H2,1-2H3
InChIKeyQRNJAOIYSYWKDV-UHFFFAOYSA-N
XLogP2.84
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-yl]methanol
CID 66024539
4-chloro-5-[[1-(chloromethyl)cyclopropyl]methyl]-1,3-diethylpyrazole
CID 66036687
[3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 66060514
4-chloro-5-[[1-(1-chloroethyl)cyclopropyl]methyl]-1,3-diethylpyrazole
CID 106798368
4-chloro-5-[(3-cyclopentylazetidin-3-yl)methyl]-1,3-diethylpyrazole
CID 115927269
3-(4-chloro-1,3-diethylpyrazol-5-yl)-2,2-dimethylpropan-1-ol
CID 66026711
1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]cyclooctane-1-carbonitrile
CID 80610063
1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(1,3-dioxolan-2-yl)-N-methylpropan-2-amine
CID 103546906
2-(4-chloro-1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-methyloxolan-2-yl)ethanamine
CID 105001400
[2-cyclopropyl-3-[(4-fluorophenyl)methyl]oxolan-3-yl]methanol
CID 104510415
[1-[[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclohexyl]methanol
CID 103966491
2-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]cycloheptane-1-carboxylic acid
CID 81013078

Frequently Asked Questions

What is the IUPAC name of [3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-cyclopropyloxolan-3-yl]methanol?
The IUPAC name of [3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-cyclopropyloxolan-3-yl]methanol (CID 104510437) is [3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-cyclopropyloxolan-3-yl]methanol.
What is the SMILES notation for [3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-cyclopropyloxolan-3-yl]methanol?
The canonical SMILES for [3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-cyclopropyloxolan-3-yl]methanol is CCc1nn(CC)c(CC2(CO)CCOC2C2CC2)c1Cl.
What is the InChIKey of [3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-cyclopropyloxolan-3-yl]methanol?
The InChIKey is QRNJAOIYSYWKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-3-12-14(17)13(19(4-2)18-12)9-16(10-20)7-8-21-15(16)11-5-6-11/h11,15,20H,3-10H2,1-2H3.
What are the key properties of [3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-cyclopropyloxolan-3-yl]methanol?
[3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-cyclopropyloxolan-3-yl]methanol has a molecular weight of 312.84 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-2-cyclopropyloxolan-3-yl]methanol is sourced from PubChem (CID 104510437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).