2-[4-[(4-methoxy-3-propoxyphenyl)methylamino]pyrazol-1-yl]ethanol

C16H23N3O3 — CID 110928951

IUPAC2-[4-[(4-methoxy-3-propoxyphenyl)methylamino]pyrazol-1-yl]ethanol
SMILESCCCOc1cc(CNc2cnn(CCO)c2)ccc1OC
InChIInChI=1S/C16H23N3O3/c1-3-8-22-16-9-13(4-5-15(16)21-2)10-17-14-11-18-19(12-14)6-7-20/h4-5,9,11-12,17,20H,3,6-8,10H2,1-2H3
InChIKeyLTTUQMHMDPLPTJ-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.28
Rot. Bonds9

About 2-[4-[(4-methoxy-3-propoxyphenyl)methylamino]pyrazol-1-yl]ethanol

2-[4-[(4-methoxy-3-propoxyphenyl)methylamino]pyrazol-1-yl]ethanol (PubChem CID 110928951) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[4-[(4-methoxy-3-propoxyphenyl)methylamino]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(4-methoxy-3-propoxyphenyl)methylamino]pyrazol-1-yl]ethanol
PubChem CID110928951
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-[4-[(4-methoxy-3-propoxyphenyl)methylamino]pyrazol-1-yl]ethanol
SMILESCCCOc1cc(CNc2cnn(CCO)c2)ccc1OC
InChIInChI=1S/C16H23N3O3/c1-3-8-22-16-9-13(4-5-15(16)21-2)10-17-14-11-18-19(12-14)6-7-20/h4-5,9,11-12,17,20H,3,6-8,10H2,1-2H3
InChIKeyLTTUQMHMDPLPTJ-UHFFFAOYSA-N
XLogP2.28
TPSA68.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrazol-4-amine
CID 19625859
2-[4-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol;hydrochloride
CID 126965409
2-[4-[(3,5-dimethoxyphenyl)methylamino]pyrazol-1-yl]ethanol
CID 110928974
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 65021511
2-[4-[(4-propoxyanilino)methyl]pyrazol-1-yl]ethanol
CID 64829597
1-ethyl-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazol-4-amine
CID 19625865
1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-amine
CID 54939751
2-[4-[(4-chloro-3-methylphenyl)methylamino]pyrazol-1-yl]ethanol
CID 110019149
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 62902826
1-benzyl-N-[(4-ethoxy-3-methoxyphenyl)methyl]pyrazol-4-amine
CID 113224396
2-[4-[(1-ethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol
CID 122166813
N-[(3,4-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43787752

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxy-3-propoxyphenyl)methylamino]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(4-methoxy-3-propoxyphenyl)methylamino]pyrazol-1-yl]ethanol (CID 110928951) is 2-[4-[(4-methoxy-3-propoxyphenyl)methylamino]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(4-methoxy-3-propoxyphenyl)methylamino]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(4-methoxy-3-propoxyphenyl)methylamino]pyrazol-1-yl]ethanol is CCCOc1cc(CNc2cnn(CCO)c2)ccc1OC.
What is the InChIKey of 2-[4-[(4-methoxy-3-propoxyphenyl)methylamino]pyrazol-1-yl]ethanol?
The InChIKey is LTTUQMHMDPLPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-3-8-22-16-9-13(4-5-15(16)21-2)10-17-14-11-18-19(12-14)6-7-20/h4-5,9,11-12,17,20H,3,6-8,10H2,1-2H3.
What are the key properties of 2-[4-[(4-methoxy-3-propoxyphenyl)methylamino]pyrazol-1-yl]ethanol?
2-[4-[(4-methoxy-3-propoxyphenyl)methylamino]pyrazol-1-yl]ethanol has a molecular weight of 305.38 g/mol, XLogP of 2.28, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxy-3-propoxyphenyl)methylamino]pyrazol-1-yl]ethanol is sourced from PubChem (CID 110928951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).