1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]cyclobutan-1-ol

C10H15ClN2O2 — CID 114636731

IUPAC1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]cyclobutan-1-ol
SMILESCOCCn1ncc(Cl)c1C1(O)CCC1
InChIInChI=1S/C10H15ClN2O2/c1-15-6-5-13-9(8(11)7-12-13)10(14)3-2-4-10/h7,14H,2-6H2,1H3
InChIKeyGHBPUJHSAVQTPQ-UHFFFAOYSA-N
MW230.69 g/mol
LogP1.55
Rot. Bonds4

About 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]cyclobutan-1-ol

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]cyclobutan-1-ol (PubChem CID 114636731) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]cyclobutan-1-ol
PubChem CID114636731
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]cyclobutan-1-ol
SMILESCOCCn1ncc(Cl)c1C1(O)CCC1
InChIInChI=1S/C10H15ClN2O2/c1-15-6-5-13-9(8(11)7-12-13)10(14)3-2-4-10/h7,14H,2-6H2,1H3
InChIKeyGHBPUJHSAVQTPQ-UHFFFAOYSA-N
XLogP1.55
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-propylcycloheptan-1-ol
CID 114636297
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-propylcyclohexan-1-ol
CID 114633115
3-amino-1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]cyclopentan-1-ol
CID 114637213
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4,4-dimethylcycloheptan-1-ol
CID 114636278
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]cycloheptan-1-ol
CID 114633263
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,3-dihydroinden-1-ol
CID 114633294
5-(2-tert-butylpyrrolidin-2-yl)-4-chloro-1-(2-methoxyethyl)pyrazole
CID 114656492
4-(4-chloro-1-propylpyrazol-5-yl)-1-ethylazepan-4-ol
CID 114636201
2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethylazepane
CID 114657340
3-(4-chloro-1-propylpyrazol-5-yl)piperidin-3-ol
CID 114633980
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-4-methylcycloheptan-1-ol
CID 114636258
4-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-propan-2-ylpiperidin-4-ol
CID 114633711

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]cyclobutan-1-ol?
The IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]cyclobutan-1-ol (CID 114636731) is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]cyclobutan-1-ol.
What is the SMILES notation for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]cyclobutan-1-ol?
The canonical SMILES for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]cyclobutan-1-ol is COCCn1ncc(Cl)c1C1(O)CCC1.
What is the InChIKey of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]cyclobutan-1-ol?
The InChIKey is GHBPUJHSAVQTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-15-6-5-13-9(8(11)7-12-13)10(14)3-2-4-10/h7,14H,2-6H2,1H3.
What are the key properties of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]cyclobutan-1-ol?
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]cyclobutan-1-ol has a molecular weight of 230.69 g/mol, XLogP of 1.55, 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-(2-methoxyethyl)pyrazol-5-yl]cyclobutan-1-ol is sourced from PubChem (CID 114636731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).