(1,3-dimethylpyrazol-4-yl)-(3-propan-2-yloxyphenyl)methanol

C15H20N2O2 — CID 83091659

IUPAC(1,3-dimethylpyrazol-4-yl)-(3-propan-2-yloxyphenyl)methanol
SMILESCc1nn(C)cc1C(O)c1cccc(OC(C)C)c1
InChIInChI=1S/C15H20N2O2/c1-10(2)19-13-7-5-6-12(8-13)15(18)14-9-17(4)16-11(14)3/h5-10,15,18H,1-4H3
InChIKeyFSSLVGLRRJBJEV-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.60
Rot. Bonds4

About (1,3-dimethylpyrazol-4-yl)-(3-propan-2-yloxyphenyl)methanol

(1,3-dimethylpyrazol-4-yl)-(3-propan-2-yloxyphenyl)methanol (PubChem CID 83091659) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-(3-propan-2-yloxyphenyl)methanol.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-(3-propan-2-yloxyphenyl)methanol
PubChem CID83091659
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(1,3-dimethylpyrazol-4-yl)-(3-propan-2-yloxyphenyl)methanol
SMILESCc1nn(C)cc1C(O)c1cccc(OC(C)C)c1
InChIInChI=1S/C15H20N2O2/c1-10(2)19-13-7-5-6-12(8-13)15(18)14-9-17(4)16-11(14)3/h5-10,15,18H,1-4H3
InChIKeyFSSLVGLRRJBJEV-UHFFFAOYSA-N
XLogP2.60
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol
CID 83090224
(2-bromo-3-methylphenyl)-(3-propan-2-yloxyphenyl)methanol
CID 107985793
(2,5-dibromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanol
CID 81473774
(R)-(2-bromophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 97056028
(2,5-dichlorothiophen-3-yl)-(3-propan-2-yloxyphenyl)methanol
CID 62919997
(1S)-1-(3-propan-2-yloxyphenyl)ethanol
CID 75358098
(2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 107947698
(2,5-difluorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 62918976
1-(1,3-dimethylpyrazol-4-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 102802975
(1,3-dimethylpyrazol-4-yl)-(5-ethoxy-3-pyridinyl)methanol
CID 83091118
(3-chlorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 63895368
(5-methylfuran-2-yl)-(3-propan-2-yloxyphenyl)methanol
CID 79020840

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-(3-propan-2-yloxyphenyl)methanol?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-(3-propan-2-yloxyphenyl)methanol (CID 83091659) is (1,3-dimethylpyrazol-4-yl)-(3-propan-2-yloxyphenyl)methanol.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-(3-propan-2-yloxyphenyl)methanol?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-(3-propan-2-yloxyphenyl)methanol is Cc1nn(C)cc1C(O)c1cccc(OC(C)C)c1.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-(3-propan-2-yloxyphenyl)methanol?
The InChIKey is FSSLVGLRRJBJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(2)19-13-7-5-6-12(8-13)15(18)14-9-17(4)16-11(14)3/h5-10,15,18H,1-4H3.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-(3-propan-2-yloxyphenyl)methanol?
(1,3-dimethylpyrazol-4-yl)-(3-propan-2-yloxyphenyl)methanol has a molecular weight of 260.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-(3-propan-2-yloxyphenyl)methanol is sourced from PubChem (CID 83091659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).