[1-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol

C14H17ClN2O2 — CID 43647441

IUPAC[1-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol
SMILESCOc1ccc(Cl)cc1Cn1nc(C)c(CO)c1C
InChIInChI=1S/C14H17ClN2O2/c1-9-13(8-18)10(2)17(16-9)7-11-6-12(15)4-5-14(11)19-3/h4-6,18H,7-8H2,1-3H3
InChIKeyAPFFWLQOTXPYGF-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.70
Rot. Bonds4

About [1-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol

[1-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol (PubChem CID 43647441) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is [1-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol
PubChem CID43647441
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name[1-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol
SMILESCOc1ccc(Cl)cc1Cn1nc(C)c(CO)c1C
InChIInChI=1S/C14H17ClN2O2/c1-9-13(8-18)10(2)17(16-9)7-11-6-12(15)4-5-14(11)19-3/h4-6,18H,7-8H2,1-3H3
InChIKeyAPFFWLQOTXPYGF-UHFFFAOYSA-N
XLogP2.70
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 43647581
1-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carbaldehyde
CID 43647283
[1-(5-chloro-2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanol
CID 39365870
1-[(5-chloro-2-methoxyphenyl)methyl]-4,5-dimethylimidazole
CID 115624836
4-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]-3,5-dimethylpyrazole
CID 65318538
2-[1-[(5-formyl-2-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 23005855
[1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindazol-3-yl]methanol
CID 66859436
methyl 2-[2-[[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]methyl]phenyl]acetate
CID 115463151
[1-[(2-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol
CID 43647395
3-[(5-chloro-2-methoxyphenyl)methyl]-5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-one
CID 18779842
2-[1-[(2,5-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 65315793
4-fluoro-2-[[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]methyl]benzonitrile
CID 107906593

Frequently Asked Questions

What is the IUPAC name of [1-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol?
The IUPAC name of [1-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol (CID 43647441) is [1-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol?
The canonical SMILES for [1-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol is COc1ccc(Cl)cc1Cn1nc(C)c(CO)c1C.
What is the InChIKey of [1-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol?
The InChIKey is APFFWLQOTXPYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-9-13(8-18)10(2)17(16-9)7-11-6-12(15)4-5-14(11)19-3/h4-6,18H,7-8H2,1-3H3.
What are the key properties of [1-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol?
[1-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol has a molecular weight of 280.75 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol is sourced from PubChem (CID 43647441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).