(4-cyclopropylphenyl)-(1-ethylpyrazol-4-yl)methanol

C15H18N2O — CID 79980499

IUPAC(4-cyclopropylphenyl)-(1-ethylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2ccc(C3CC3)cc2)cn1
InChIInChI=1S/C15H18N2O/c1-2-17-10-14(9-16-17)15(18)13-7-5-12(6-8-13)11-3-4-11/h5-11,15,18H,2-4H2,1H3
InChIKeyDODKJRICQNFYSG-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.86
Rot. Bonds4

About (4-cyclopropylphenyl)-(1-ethylpyrazol-4-yl)methanol

(4-cyclopropylphenyl)-(1-ethylpyrazol-4-yl)methanol (PubChem CID 79980499) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (4-cyclopropylphenyl)-(1-ethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(4-cyclopropylphenyl)-(1-ethylpyrazol-4-yl)methanol
PubChem CID79980499
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(4-cyclopropylphenyl)-(1-ethylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2ccc(C3CC3)cc2)cn1
InChIInChI=1S/C15H18N2O/c1-2-17-10-14(9-16-17)15(18)13-7-5-12(6-8-13)11-3-4-11/h5-11,15,18H,2-4H2,1H3
InChIKeyDODKJRICQNFYSG-UHFFFAOYSA-N
XLogP2.86
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylphenyl)-(1-ethylpyrazol-4-yl)methanol?
The IUPAC name of (4-cyclopropylphenyl)-(1-ethylpyrazol-4-yl)methanol (CID 79980499) is (4-cyclopropylphenyl)-(1-ethylpyrazol-4-yl)methanol.
What is the SMILES notation for (4-cyclopropylphenyl)-(1-ethylpyrazol-4-yl)methanol?
The canonical SMILES for (4-cyclopropylphenyl)-(1-ethylpyrazol-4-yl)methanol is CCn1cc(C(O)c2ccc(C3CC3)cc2)cn1.
What is the InChIKey of (4-cyclopropylphenyl)-(1-ethylpyrazol-4-yl)methanol?
The InChIKey is DODKJRICQNFYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-17-10-14(9-16-17)15(18)13-7-5-12(6-8-13)11-3-4-11/h5-11,15,18H,2-4H2,1H3.
What are the key properties of (4-cyclopropylphenyl)-(1-ethylpyrazol-4-yl)methanol?
(4-cyclopropylphenyl)-(1-ethylpyrazol-4-yl)methanol has a molecular weight of 242.32 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylphenyl)-(1-ethylpyrazol-4-yl)methanol is sourced from PubChem (CID 79980499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).