1-methoxy-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propan-2-ol

C15H21N3O3 — CID 111425263

IUPAC1-methoxy-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propan-2-ol
SMILESCOCC(O)CNCc1cn[nH]c1-c1ccc(OC)cc1
InChIInChI=1S/C15H21N3O3/c1-20-10-13(19)9-16-7-12-8-17-18-15(12)11-3-5-14(21-2)6-4-11/h3-6,8,13,16,19H,7,9-10H2,1-2H3,(H,17,18)
InChIKeyGGHUZUZVOVJKMC-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.18
Rot. Bonds8

About 1-methoxy-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propan-2-ol

1-methoxy-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propan-2-ol (PubChem CID 111425263) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-methoxy-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propan-2-ol
PubChem CID111425263
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-methoxy-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propan-2-ol
SMILESCOCC(O)CNCc1cn[nH]c1-c1ccc(OC)cc1
InChIInChI=1S/C15H21N3O3/c1-20-10-13(19)9-16-7-12-8-17-18-15(12)11-3-5-14(21-2)6-4-11/h3-6,8,13,16,19H,7,9-10H2,1-2H3,(H,17,18)
InChIKeyGGHUZUZVOVJKMC-UHFFFAOYSA-N
XLogP1.18
TPSA79.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-2-yl)-2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]ethanol
CID 110889941
2-(4-methoxyphenyl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 17450711
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 86913988
2-methyl-N-[[5-(4-propoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 79490650
1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-ol
CID 3969875
2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 17461528
5-fluoro-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]pyridin-2-amine
CID 75517162
5-(4-methoxyphenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-amine
CID 42512816
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(oxan-3-yl)methanamine;hydrochloride
CID 56816245
1-[(3S)-1-ethylpyrrolidin-3-yl]-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 94194229
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine
CID 17446645
1-[3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propyl]piperidin-4-ol
CID 110929429

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propan-2-ol (CID 111425263) is 1-methoxy-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propan-2-ol is COCC(O)CNCc1cn[nH]c1-c1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propan-2-ol?
The InChIKey is GGHUZUZVOVJKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-20-10-13(19)9-16-7-12-8-17-18-15(12)11-3-5-14(21-2)6-4-11/h3-6,8,13,16,19H,7,9-10H2,1-2H3,(H,17,18).
What are the key properties of 1-methoxy-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propan-2-ol?
1-methoxy-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propan-2-ol has a molecular weight of 291.35 g/mol, XLogP of 1.18, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propan-2-ol is sourced from PubChem (CID 111425263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).