(5-chloro-1-ethyl-3-methylpyrazol-4-yl)methanol

C7H11ClN2O — CID 61265708

IUPAC(5-chloro-1-ethyl-3-methylpyrazol-4-yl)methanol
SMILESCCn1nc(C)c(CO)c1Cl
InChIInChI=1S/C7H11ClN2O/c1-3-10-7(8)6(4-11)5(2)9-10/h11H,3-4H2,1-2H3
InChIKeyFAEKLGZRDTWALW-UHFFFAOYSA-N
MW174.63 g/mol
LogP1.36
Rot. Bonds2

About (5-chloro-1-ethyl-3-methylpyrazol-4-yl)methanol

(5-chloro-1-ethyl-3-methylpyrazol-4-yl)methanol (PubChem CID 61265708) has the molecular formula C7H11ClN2O and a molecular weight of 174.63 g/mol. Its IUPAC name is (5-chloro-1-ethyl-3-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(5-chloro-1-ethyl-3-methylpyrazol-4-yl)methanol
PubChem CID61265708
Molecular FormulaC7H11ClN2O
Molecular Weight174.63 g/mol
Exact Mass174.06
IUPAC Name(5-chloro-1-ethyl-3-methylpyrazol-4-yl)methanol
SMILESCCn1nc(C)c(CO)c1Cl
InChIInChI=1S/C7H11ClN2O/c1-3-10-7(8)6(4-11)5(2)9-10/h11H,3-4H2,1-2H3
InChIKeyFAEKLGZRDTWALW-UHFFFAOYSA-N
XLogP1.36
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-ethyl-3-methylpyrazol-4-yl)methanol?
The IUPAC name of (5-chloro-1-ethyl-3-methylpyrazol-4-yl)methanol (CID 61265708) is (5-chloro-1-ethyl-3-methylpyrazol-4-yl)methanol.
What is the SMILES notation for (5-chloro-1-ethyl-3-methylpyrazol-4-yl)methanol?
The canonical SMILES for (5-chloro-1-ethyl-3-methylpyrazol-4-yl)methanol is CCn1nc(C)c(CO)c1Cl.
What is the InChIKey of (5-chloro-1-ethyl-3-methylpyrazol-4-yl)methanol?
The InChIKey is FAEKLGZRDTWALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O/c1-3-10-7(8)6(4-11)5(2)9-10/h11H,3-4H2,1-2H3.
What are the key properties of (5-chloro-1-ethyl-3-methylpyrazol-4-yl)methanol?
(5-chloro-1-ethyl-3-methylpyrazol-4-yl)methanol has a molecular weight of 174.63 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-ethyl-3-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 61265708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).