1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-methoxycyclobutan-1-ol

C12H19ClN2O2 — CID 106823582

IUPAC1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-methoxycyclobutan-1-ol
SMILESCCn1nc(C)c(Cl)c1CC1(O)CC(OC)C1
InChIInChI=1S/C12H19ClN2O2/c1-4-15-10(11(13)8(2)14-15)7-12(16)5-9(6-12)17-3/h9,16H,4-7H2,1-3H3
InChIKeyJAOUXUWTDFOOJJ-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.95
Rot. Bonds4

About 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-methoxycyclobutan-1-ol

1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-methoxycyclobutan-1-ol (PubChem CID 106823582) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-methoxycyclobutan-1-ol.

Molecular Properties

Compound Name1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-methoxycyclobutan-1-ol
PubChem CID106823582
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC Name1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-methoxycyclobutan-1-ol
SMILESCCn1nc(C)c(Cl)c1CC1(O)CC(OC)C1
InChIInChI=1S/C12H19ClN2O2/c1-4-15-10(11(13)8(2)14-15)7-12(16)5-9(6-12)17-3/h9,16H,4-7H2,1-3H3
InChIKeyJAOUXUWTDFOOJJ-UHFFFAOYSA-N
XLogP1.95
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclobutan-1-ol
CID 79081888
[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methanol
CID 66024347
4-chloro-1-ethyl-5-[(3-ethylazetidin-3-yl)methyl]-3-methylpyrazole
CID 79452376
1-[(1-ethylindazol-3-yl)methyl]-3-methoxycyclobutan-1-ol
CID 106823626
1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopropyl]ethanamine
CID 106797396
4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]thiolan-3-amine
CID 83196814
4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]cyclohexane-1-carboxylic acid
CID 114451002
5-[[4-(bromomethyl)oxan-4-yl]methyl]-4-chloro-1-ethyl-3-methylpyrazole
CID 66051062
4-[[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl-methylamino]methyl]oxan-4-ol
CID 114953005
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)decan-2-ol
CID 115813367
4-chloro-1-ethyl-3-methyl-5-[2-(oxiran-2-yl)ethyl]pyrazole
CID 115410517
3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-2-cyclopropyl-2-methylpropan-1-ol
CID 83150607

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-methoxycyclobutan-1-ol?
The IUPAC name of 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-methoxycyclobutan-1-ol (CID 106823582) is 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-methoxycyclobutan-1-ol.
What is the SMILES notation for 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-methoxycyclobutan-1-ol?
The canonical SMILES for 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-methoxycyclobutan-1-ol is CCn1nc(C)c(Cl)c1CC1(O)CC(OC)C1.
What is the InChIKey of 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-methoxycyclobutan-1-ol?
The InChIKey is JAOUXUWTDFOOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2/c1-4-15-10(11(13)8(2)14-15)7-12(16)5-9(6-12)17-3/h9,16H,4-7H2,1-3H3.
What are the key properties of 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-methoxycyclobutan-1-ol?
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-methoxycyclobutan-1-ol has a molecular weight of 258.75 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-3-methoxycyclobutan-1-ol is sourced from PubChem (CID 106823582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).