1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-propan-2-ylcyclobutan-1-ol

C13H21ClN2O — CID 103564145

IUPAC1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-propan-2-ylcyclobutan-1-ol
SMILESCC(C)C1CC(O)(c2c(Cl)cnn2C(C)C)C1
InChIInChI=1S/C13H21ClN2O/c1-8(2)10-5-13(17,6-10)12-11(14)7-15-16(12)9(3)4/h7-10,17H,5-6H2,1-4H3
InChIKeyPRXUSNQHVBHJPU-UHFFFAOYSA-N
MW256.78 g/mol
LogP3.37
Rot. Bonds3

About 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-propan-2-ylcyclobutan-1-ol

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-propan-2-ylcyclobutan-1-ol (PubChem CID 103564145) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-propan-2-ylcyclobutan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-propan-2-ylcyclobutan-1-ol
PubChem CID103564145
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-propan-2-ylcyclobutan-1-ol
SMILESCC(C)C1CC(O)(c2c(Cl)cnn2C(C)C)C1
InChIInChI=1S/C13H21ClN2O/c1-8(2)10-5-13(17,6-10)12-11(14)7-15-16(12)9(3)4/h7-10,17H,5-6H2,1-4H3
InChIKeyPRXUSNQHVBHJPU-UHFFFAOYSA-N
XLogP3.37
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,4,4-trimethylcyclopentan-1-ol
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1-(4-chloro-1-methylpyrazol-5-yl)-4-propan-2-ylcyclohexan-1-ol
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4-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethylpiperidin-4-ol
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1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylsulfonylcyclopentan-1-ol
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1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
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1-(2,5-dichlorophenyl)-3-propan-2-ylcyclobutan-1-ol
CID 103564302
3-(4-bromo-1-propan-2-ylpyrazol-5-yl)thietan-3-ol
CID 131123184
1-adamantyl-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
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3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylcyclopentan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-propan-2-ylcyclobutan-1-ol?
The IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-propan-2-ylcyclobutan-1-ol (CID 103564145) is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-propan-2-ylcyclobutan-1-ol.
What is the SMILES notation for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-propan-2-ylcyclobutan-1-ol?
The canonical SMILES for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-propan-2-ylcyclobutan-1-ol is CC(C)C1CC(O)(c2c(Cl)cnn2C(C)C)C1.
What is the InChIKey of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-propan-2-ylcyclobutan-1-ol?
The InChIKey is PRXUSNQHVBHJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-8(2)10-5-13(17,6-10)12-11(14)7-15-16(12)9(3)4/h7-10,17H,5-6H2,1-4H3.
What are the key properties of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-propan-2-ylcyclobutan-1-ol?
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-propan-2-ylcyclobutan-1-ol has a molecular weight of 256.78 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-propan-2-ylcyclobutan-1-ol is sourced from PubChem (CID 103564145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).