[3-(4-propoxyphenyl)-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]methanamine

C18H22N4O — CID 82072317

IUPAC[3-(4-propoxyphenyl)-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]methanamine
SMILESCCCOc1ccc(C2CC(CN)=NN2c2ccccn2)cc1
InChIInChI=1S/C18H22N4O/c1-2-11-23-16-8-6-14(7-9-16)17-12-15(13-19)21-22(17)18-5-3-4-10-20-18/h3-10,17H,2,11-13,19H2,1H3
InChIKeyQWAQDLQNTRIYKW-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.14
Rot. Bonds6

About [3-(4-propoxyphenyl)-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]methanamine

[3-(4-propoxyphenyl)-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]methanamine (PubChem CID 82072317) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is [3-(4-propoxyphenyl)-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(4-propoxyphenyl)-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]methanamine
PubChem CID82072317
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name[3-(4-propoxyphenyl)-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]methanamine
SMILESCCCOc1ccc(C2CC(CN)=NN2c2ccccn2)cc1
InChIInChI=1S/C18H22N4O/c1-2-11-23-16-8-6-14(7-9-16)17-12-15(13-19)21-22(17)18-5-3-4-10-20-18/h3-10,17H,2,11-13,19H2,1H3
InChIKeyQWAQDLQNTRIYKW-UHFFFAOYSA-N
XLogP3.14
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(3,4-dichlorophenyl)-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]methanamine
CID 82072903
[2-benzyl-3-(4-propoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82072314
2-[3-phenyl-2-(4-propoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
CID 82071790
2-(3-phenyl-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl)ethanamine
CID 82071795
2-[3-(4-chlorophenyl)-5-methyl-3,4-dihydropyrazol-2-yl]pyridine
CID 155406104
2-[5-(4-propoxyphenyl)-1-pyridin-2-ylpyrazol-3-yl]ethanamine
CID 82072305
2-[2-(4-ethoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
CID 82072054
[2-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]methanamine
CID 82071810
2-[3-(4-methoxyphenyl)-2-(2-methylphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
CID 82071907
(5R,10bS)-5-(4-propoxyphenyl)-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 7312096
[3-(4-chlorophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82071991
(5R,10bS)-2-(4-butoxyphenyl)-5-(4-propoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 40928159

Frequently Asked Questions

What is the IUPAC name of [3-(4-propoxyphenyl)-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]methanamine?
The IUPAC name of [3-(4-propoxyphenyl)-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]methanamine (CID 82072317) is [3-(4-propoxyphenyl)-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]methanamine.
What is the SMILES notation for [3-(4-propoxyphenyl)-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]methanamine?
The canonical SMILES for [3-(4-propoxyphenyl)-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]methanamine is CCCOc1ccc(C2CC(CN)=NN2c2ccccn2)cc1.
What is the InChIKey of [3-(4-propoxyphenyl)-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]methanamine?
The InChIKey is QWAQDLQNTRIYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-2-11-23-16-8-6-14(7-9-16)17-12-15(13-19)21-22(17)18-5-3-4-10-20-18/h3-10,17H,2,11-13,19H2,1H3.
What are the key properties of [3-(4-propoxyphenyl)-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]methanamine?
[3-(4-propoxyphenyl)-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]methanamine has a molecular weight of 310.40 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-propoxyphenyl)-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]methanamine is sourced from PubChem (CID 82072317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).