3-[3-[(3-chlorophenoxy)methyl]-5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1,2,4-triazol-1-yl]propan-1-ol

C19H22ClN5O2 — CID 146041075

IUPAC3-[3-[(3-chlorophenoxy)methyl]-5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1,2,4-triazol-1-yl]propan-1-ol
SMILESCn1nc(C2CC2)cc1-c1nc(COc2cccc(Cl)c2)nn1CCCO
InChIInChI=1S/C19H22ClN5O2/c1-24-17(11-16(22-24)13-6-7-13)19-21-18(23-25(19)8-3-9-26)12-27-15-5-2-4-14(20)10-15/h2,4-5,10-11,13,26H,3,6-9,12H2,1H3
InChIKeyFXZXGNVCJSYRSQ-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.17
Rot. Bonds8

About 3-[3-[(3-chlorophenoxy)methyl]-5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1,2,4-triazol-1-yl]propan-1-ol

3-[3-[(3-chlorophenoxy)methyl]-5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1,2,4-triazol-1-yl]propan-1-ol (PubChem CID 146041075) has the molecular formula C19H22ClN5O2 and a molecular weight of 387.87 g/mol. Its IUPAC name is 3-[3-[(3-chlorophenoxy)methyl]-5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1,2,4-triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-[(3-chlorophenoxy)methyl]-5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1,2,4-triazol-1-yl]propan-1-ol
PubChem CID146041075
Molecular FormulaC19H22ClN5O2
Molecular Weight387.87 g/mol
Exact Mass387.15
IUPAC Name3-[3-[(3-chlorophenoxy)methyl]-5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1,2,4-triazol-1-yl]propan-1-ol
SMILESCn1nc(C2CC2)cc1-c1nc(COc2cccc(Cl)c2)nn1CCCO
InChIInChI=1S/C19H22ClN5O2/c1-24-17(11-16(22-24)13-6-7-13)19-21-18(23-25(19)8-3-9-26)12-27-15-5-2-4-14(20)10-15/h2,4-5,10-11,13,26H,3,6-9,12H2,1H3
InChIKeyFXZXGNVCJSYRSQ-UHFFFAOYSA-N
XLogP3.17
TPSA77.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-[(3-chlorophenoxy)methyl]-5-(1-methyl-3-propan-2-ylpyrazol-5-yl)-1,2,4-triazol-1-yl]ethanol
CID 131899456
2-[5-[(1S,3R,4R)-4-amino-3-propoxycyclohexyl]-3-[(3-chlorophenoxy)methyl]-1,2,4-triazol-1-yl]ethanol
CID 155493936
3-[3-[(3-methoxyphenoxy)methyl]-5-pyrazolo[1,5-a]pyridin-5-yl-1,2,4-triazol-1-yl]propan-1-ol
CID 146042358
2-[2-butyl-5-[(3-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]-4-methylmorpholine;formic acid
CID 155940455
5-[(3-chlorophenoxy)methyl]-3-cyclopropyl-1H-1,2,4-triazole
CID 62228354
(1R)-1-[5-[(3-chlorophenoxy)methyl]-2-ethyl-1,2,4-triazol-3-yl]ethanamine;hydrochloride
CID 154912146
4-chloro-6-[(3-chlorophenoxy)methyl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 63221073
[2-[(3-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol
CID 82436608
3-[(3-chlorophenoxy)methyl]-1-methylpyrazol-5-amine
CID 82083972
2-[(3-chlorophenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride
CID 3051323
2-(3-chlorophenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 110656226
4-[(3-chlorophenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 19293748

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3-chlorophenoxy)methyl]-5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1,2,4-triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[3-[(3-chlorophenoxy)methyl]-5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1,2,4-triazol-1-yl]propan-1-ol (CID 146041075) is 3-[3-[(3-chlorophenoxy)methyl]-5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1,2,4-triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[3-[(3-chlorophenoxy)methyl]-5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1,2,4-triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[3-[(3-chlorophenoxy)methyl]-5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1,2,4-triazol-1-yl]propan-1-ol is Cn1nc(C2CC2)cc1-c1nc(COc2cccc(Cl)c2)nn1CCCO.
What is the InChIKey of 3-[3-[(3-chlorophenoxy)methyl]-5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1,2,4-triazol-1-yl]propan-1-ol?
The InChIKey is FXZXGNVCJSYRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O2/c1-24-17(11-16(22-24)13-6-7-13)19-21-18(23-25(19)8-3-9-26)12-27-15-5-2-4-14(20)10-15/h2,4-5,10-11,13,26H,3,6-9,12H2,1H3.
What are the key properties of 3-[3-[(3-chlorophenoxy)methyl]-5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1,2,4-triazol-1-yl]propan-1-ol?
3-[3-[(3-chlorophenoxy)methyl]-5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1,2,4-triazol-1-yl]propan-1-ol has a molecular weight of 387.87 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3-chlorophenoxy)methyl]-5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1,2,4-triazol-1-yl]propan-1-ol is sourced from PubChem (CID 146041075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).