1-[(4-chlorophenyl)methoxy]-3-[(1,3-dimethylpyrazol-4-yl)amino]propan-2-ol

C15H20ClN3O2 — CID 102805214

IUPAC1-[(4-chlorophenyl)methoxy]-3-[(1,3-dimethylpyrazol-4-yl)amino]propan-2-ol
SMILESCc1nn(C)cc1NCC(O)COCc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN3O2/c1-11-15(8-19(2)18-11)17-7-14(20)10-21-9-12-3-5-13(16)6-4-12/h3-6,8,14,17,20H,7,9-10H2,1-2H3
InChIKeyRRASDPYSGTVKRI-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.37
Rot. Bonds7

About 1-[(4-chlorophenyl)methoxy]-3-[(1,3-dimethylpyrazol-4-yl)amino]propan-2-ol

1-[(4-chlorophenyl)methoxy]-3-[(1,3-dimethylpyrazol-4-yl)amino]propan-2-ol (PubChem CID 102805214) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methoxy]-3-[(1,3-dimethylpyrazol-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methoxy]-3-[(1,3-dimethylpyrazol-4-yl)amino]propan-2-ol
PubChem CID102805214
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name1-[(4-chlorophenyl)methoxy]-3-[(1,3-dimethylpyrazol-4-yl)amino]propan-2-ol
SMILESCc1nn(C)cc1NCC(O)COCc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN3O2/c1-11-15(8-19(2)18-11)17-7-14(20)10-21-9-12-3-5-13(16)6-4-12/h3-6,8,14,17,20H,7,9-10H2,1-2H3
InChIKeyRRASDPYSGTVKRI-UHFFFAOYSA-N
XLogP2.37
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-chlorophenyl)methoxy]-3-(2-methylanilino)propan-2-ol
CID 60900159
1-[(1,3-dimethylpyrazol-4-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 102805094
1-(2-bromoanilino)-3-[(4-chlorophenyl)methoxy]propan-2-ol
CID 60897419
(2R)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol
CID 7024938
1-(butan-2-ylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol chloride
CID 53313843
1-(2-bromo-4-chloroanilino)-3-phenylmethoxypropan-2-ol
CID 81270209
N-(4-chlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)amino]acetamide
CID 102805280
1-(2-fluoro-5-methylanilino)-3-phenylmethoxypropan-2-ol
CID 60900779
1-(4-chlorophenoxy)-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 115989757
1-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 107462870
1-[(4-chlorophenyl)methoxy]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol
CID 106398482
1-[(4-chlorophenyl)methoxy]-3-(4-chloropyrazol-1-yl)propan-2-ol
CID 109411868

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-[(1,3-dimethylpyrazol-4-yl)amino]propan-2-ol?
The IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-[(1,3-dimethylpyrazol-4-yl)amino]propan-2-ol (CID 102805214) is 1-[(4-chlorophenyl)methoxy]-3-[(1,3-dimethylpyrazol-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(4-chlorophenyl)methoxy]-3-[(1,3-dimethylpyrazol-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(4-chlorophenyl)methoxy]-3-[(1,3-dimethylpyrazol-4-yl)amino]propan-2-ol is Cc1nn(C)cc1NCC(O)COCc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methoxy]-3-[(1,3-dimethylpyrazol-4-yl)amino]propan-2-ol?
The InChIKey is RRASDPYSGTVKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-11-15(8-19(2)18-11)17-7-14(20)10-21-9-12-3-5-13(16)6-4-12/h3-6,8,14,17,20H,7,9-10H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methoxy]-3-[(1,3-dimethylpyrazol-4-yl)amino]propan-2-ol?
1-[(4-chlorophenyl)methoxy]-3-[(1,3-dimethylpyrazol-4-yl)amino]propan-2-ol has a molecular weight of 309.80 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methoxy]-3-[(1,3-dimethylpyrazol-4-yl)amino]propan-2-ol is sourced from PubChem (CID 102805214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).