4-(4-chloro-3-methylpyrazol-1-yl)-2-methylbutan-2-ol

C9H15ClN2O — CID 79360049

IUPAC4-(4-chloro-3-methylpyrazol-1-yl)-2-methylbutan-2-ol
SMILESCc1nn(CCC(C)(C)O)cc1Cl
InChIInChI=1S/C9H15ClN2O/c1-7-8(10)6-12(11-7)5-4-9(2,3)13/h6,13H,4-5H2,1-3H3
InChIKeyKPVYIDKJSXNRPK-UHFFFAOYSA-N
MW202.69 g/mol
LogP2.01
Rot. Bonds3

About 4-(4-chloro-3-methylpyrazol-1-yl)-2-methylbutan-2-ol

4-(4-chloro-3-methylpyrazol-1-yl)-2-methylbutan-2-ol (PubChem CID 79360049) has the molecular formula C9H15ClN2O and a molecular weight of 202.69 g/mol. Its IUPAC name is 4-(4-chloro-3-methylpyrazol-1-yl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(4-chloro-3-methylpyrazol-1-yl)-2-methylbutan-2-ol
PubChem CID79360049
Molecular FormulaC9H15ClN2O
Molecular Weight202.69 g/mol
Exact Mass202.09
IUPAC Name4-(4-chloro-3-methylpyrazol-1-yl)-2-methylbutan-2-ol
SMILESCc1nn(CCC(C)(C)O)cc1Cl
InChIInChI=1S/C9H15ClN2O/c1-7-8(10)6-12(11-7)5-4-9(2,3)13/h6,13H,4-5H2,1-3H3
InChIKeyKPVYIDKJSXNRPK-UHFFFAOYSA-N
XLogP2.01
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.69
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylpyrazol-1-yl)-2-methylbutan-2-ol?
The IUPAC name of 4-(4-chloro-3-methylpyrazol-1-yl)-2-methylbutan-2-ol (CID 79360049) is 4-(4-chloro-3-methylpyrazol-1-yl)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(4-chloro-3-methylpyrazol-1-yl)-2-methylbutan-2-ol?
The canonical SMILES for 4-(4-chloro-3-methylpyrazol-1-yl)-2-methylbutan-2-ol is Cc1nn(CCC(C)(C)O)cc1Cl.
What is the InChIKey of 4-(4-chloro-3-methylpyrazol-1-yl)-2-methylbutan-2-ol?
The InChIKey is KPVYIDKJSXNRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O/c1-7-8(10)6-12(11-7)5-4-9(2,3)13/h6,13H,4-5H2,1-3H3.
What are the key properties of 4-(4-chloro-3-methylpyrazol-1-yl)-2-methylbutan-2-ol?
4-(4-chloro-3-methylpyrazol-1-yl)-2-methylbutan-2-ol has a molecular weight of 202.69 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methylpyrazol-1-yl)-2-methylbutan-2-ol is sourced from PubChem (CID 79360049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).