[5-chloro-1-(4-methoxyphenyl)-3-propylpyrazol-4-yl]methanol

C14H17ClN2O2 — CID 63173050

IUPAC[5-chloro-1-(4-methoxyphenyl)-3-propylpyrazol-4-yl]methanol
SMILESCCCc1nn(-c2ccc(OC)cc2)c(Cl)c1CO
InChIInChI=1S/C14H17ClN2O2/c1-3-4-13-12(9-18)14(15)17(16-13)10-5-7-11(19-2)8-6-10/h5-8,18H,3-4,9H2,1-2H3
InChIKeyHOYJNCFATHNGPO-UHFFFAOYSA-N
MW280.76 g/mol
LogP2.98
Rot. Bonds5

About [5-chloro-1-(4-methoxyphenyl)-3-propylpyrazol-4-yl]methanol

[5-chloro-1-(4-methoxyphenyl)-3-propylpyrazol-4-yl]methanol (PubChem CID 63173050) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.76 g/mol. Its IUPAC name is [5-chloro-1-(4-methoxyphenyl)-3-propylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-chloro-1-(4-methoxyphenyl)-3-propylpyrazol-4-yl]methanol
PubChem CID63173050
Molecular FormulaC14H17ClN2O2
Molecular Weight280.76 g/mol
Exact Mass280.10
IUPAC Name[5-chloro-1-(4-methoxyphenyl)-3-propylpyrazol-4-yl]methanol
SMILESCCCc1nn(-c2ccc(OC)cc2)c(Cl)c1CO
InChIInChI=1S/C14H17ClN2O2/c1-3-4-13-12(9-18)14(15)17(16-13)10-5-7-11(19-2)8-6-10/h5-8,18H,3-4,9H2,1-2H3
InChIKeyHOYJNCFATHNGPO-UHFFFAOYSA-N
XLogP2.98
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-3-trifluoromethylpyrazole
CID 4306515
3-[5-(4-Chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]propan-1-ol
CID 14497430
3-(4-Chloro-phenyl)-1-(4-methoxy-phenyl)-4,5,6,7-tetrahydro-1H-indazol-5-ol
CID 15453873
3-(4-chlorophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole
CID 44370636
2-[1-(4-Methoxyphenyl)-5-methyl-pyrazol-3-yl]phenol
CID 135465500
(NE)-N-[[5-chloro-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-4-yl]methylidene]hydroxylamine
CID 139231079
(4Z)-5-chloro-N-hydroxy-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboximidoyl chloride
CID 139231083
1-(4-methoxyphenyl)-3,5-dimethyl-1H-Pyrazole
CID 13019919
(1-(4-Methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-YL)methanol
CID 11471256
5-(4-Chlorophenyl)-3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazole
CID 11724472
3-Chloro-2-(2-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydroindazole
CID 18981015
[3-Methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol
CID 58733760

Frequently Asked Questions

What is the IUPAC name of [5-chloro-1-(4-methoxyphenyl)-3-propylpyrazol-4-yl]methanol?
The IUPAC name of [5-chloro-1-(4-methoxyphenyl)-3-propylpyrazol-4-yl]methanol (CID 63173050) is [5-chloro-1-(4-methoxyphenyl)-3-propylpyrazol-4-yl]methanol.
What is the SMILES notation for [5-chloro-1-(4-methoxyphenyl)-3-propylpyrazol-4-yl]methanol?
The canonical SMILES for [5-chloro-1-(4-methoxyphenyl)-3-propylpyrazol-4-yl]methanol is CCCc1nn(-c2ccc(OC)cc2)c(Cl)c1CO.
What is the InChIKey of [5-chloro-1-(4-methoxyphenyl)-3-propylpyrazol-4-yl]methanol?
The InChIKey is HOYJNCFATHNGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-3-4-13-12(9-18)14(15)17(16-13)10-5-7-11(19-2)8-6-10/h5-8,18H,3-4,9H2,1-2H3.
What are the key properties of [5-chloro-1-(4-methoxyphenyl)-3-propylpyrazol-4-yl]methanol?
[5-chloro-1-(4-methoxyphenyl)-3-propylpyrazol-4-yl]methanol has a molecular weight of 280.76 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-1-(4-methoxyphenyl)-3-propylpyrazol-4-yl]methanol is sourced from PubChem (CID 63173050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).