(2,5-dimethylphenyl)-(2-propylpyrazol-3-yl)methanol

C15H20N2O — CID 63977386

IUPAC(2,5-dimethylphenyl)-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1cc(C)ccc1C
InChIInChI=1S/C15H20N2O/c1-4-9-17-14(7-8-16-17)15(18)13-10-11(2)5-6-12(13)3/h5-8,10,15,18H,4,9H2,1-3H3
InChIKeyQOHCMRIHRKHORT-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.99
Rot. Bonds4

About (2,5-dimethylphenyl)-(2-propylpyrazol-3-yl)methanol

(2,5-dimethylphenyl)-(2-propylpyrazol-3-yl)methanol (PubChem CID 63977386) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-(2-propylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-(2-propylpyrazol-3-yl)methanol
PubChem CID63977386
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(2,5-dimethylphenyl)-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1cc(C)ccc1C
InChIInChI=1S/C15H20N2O/c1-4-9-17-14(7-8-16-17)15(18)13-10-11(2)5-6-12(13)3/h5-8,10,15,18H,4,9H2,1-3H3
InChIKeyQOHCMRIHRKHORT-UHFFFAOYSA-N
XLogP2.99
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethyl-6-methylpyridazin-4-yl)-(2-propylpyrazol-3-yl)methanol
CID 105098012
(2-aminophenyl)-(2-propylpyrazol-3-yl)methanol
CID 64831998
(4-chloro-2-fluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 63975297
(2-bromofuran-3-yl)-(2-propylpyrazol-3-yl)methanol
CID 106859237
(2-bromo-5-chlorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 66156283
(5-bromo-4-methylthiophen-2-yl)-(2-propylpyrazol-3-yl)methanol
CID 115798611
(2,3-difluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 63975691
(5-bromo-2-methylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857762
(4-ethylphenyl)-(2-propylpyrazol-3-yl)methanol
CID 63976106
(2-propylpyrazol-3-yl)-pyrimidin-5-ylmethanol
CID 114556923
furan-3-yl-(2-propylpyrazol-3-yl)methanol
CID 63974629
[2-amino-5-(trifluoromethyl)phenyl]-(2-propylpyrazol-3-yl)methanol
CID 115911605

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-(2-propylpyrazol-3-yl)methanol?
The IUPAC name of (2,5-dimethylphenyl)-(2-propylpyrazol-3-yl)methanol (CID 63977386) is (2,5-dimethylphenyl)-(2-propylpyrazol-3-yl)methanol.
What is the SMILES notation for (2,5-dimethylphenyl)-(2-propylpyrazol-3-yl)methanol?
The canonical SMILES for (2,5-dimethylphenyl)-(2-propylpyrazol-3-yl)methanol is CCCn1nccc1C(O)c1cc(C)ccc1C.
What is the InChIKey of (2,5-dimethylphenyl)-(2-propylpyrazol-3-yl)methanol?
The InChIKey is QOHCMRIHRKHORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-9-17-14(7-8-16-17)15(18)13-10-11(2)5-6-12(13)3/h5-8,10,15,18H,4,9H2,1-3H3.
What are the key properties of (2,5-dimethylphenyl)-(2-propylpyrazol-3-yl)methanol?
(2,5-dimethylphenyl)-(2-propylpyrazol-3-yl)methanol has a molecular weight of 244.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-(2-propylpyrazol-3-yl)methanol is sourced from PubChem (CID 63977386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).