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

C20H25N3O — CID 82072314

IUPAC[2-benzyl-3-(4-propoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine
SMILESCCCOc1ccc(C2CC(CN)=NN2Cc2ccccc2)cc1
InChIInChI=1S/C20H25N3O/c1-2-12-24-19-10-8-17(9-11-19)20-13-18(14-21)22-23(20)15-16-6-4-3-5-7-16/h3-11,20H,2,12-15,21H2,1H3
InChIKeyDVLGTQPWRQQHLP-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.74
Rot. Bonds7

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

[2-benzyl-3-(4-propoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine (PubChem CID 82072314) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is [2-benzyl-3-(4-propoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-benzyl-3-(4-propoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine
PubChem CID82072314
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name[2-benzyl-3-(4-propoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine
SMILESCCCOc1ccc(C2CC(CN)=NN2Cc2ccccc2)cc1
InChIInChI=1S/C20H25N3O/c1-2-12-24-19-10-8-17(9-11-19)20-13-18(14-21)22-23(20)15-16-6-4-3-5-7-16/h3-11,20H,2,12-15,21H2,1H3
InChIKeyDVLGTQPWRQQHLP-UHFFFAOYSA-N
XLogP3.74
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-benzyl-3-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]methanamine
CID 82071990
[3-(4-propoxyphenyl)-2-pyridin-2-yl-3,4-dihydropyrazol-5-yl]methanamine
CID 82072317
2-[3-phenyl-2-(4-propoxyphenyl)-3,4-dihydropyrazol-5-yl]ethanamine
CID 82071790
1-phenylmethoxy-4-propoxybenzene
CID 10728874
2-(4-fluorophenyl)-1-[(4-propoxyphenyl)methyl]pyrrolidine
CID 20895915
2-[2-benzyl-3-(2-chlorophenyl)-3,4-dihydropyrazol-5-yl]ethanamine
CID 82072649
4-(4-benzylpiperazin-1-yl)-3-(4-propoxyphenyl)cyclopent-2-en-1-one
CID 174537031
2-fluoro-2-phenyl-2-(4-propoxyphenyl)ethanamine
CID 115918108
CID 161224902
CID 161224902
azane;propoxybenzene
CID 66667480
(5S,10bS)-7,9-dichloro-2-phenyl-5-(4-propoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 40805781
2-benzyl-3-(4-propoxyphenyl)-3,4-dihydro-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 4224813

Frequently Asked Questions

What is the IUPAC name of [2-benzyl-3-(4-propoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine?
The IUPAC name of [2-benzyl-3-(4-propoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine (CID 82072314) is [2-benzyl-3-(4-propoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine.
What is the SMILES notation for [2-benzyl-3-(4-propoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine?
The canonical SMILES for [2-benzyl-3-(4-propoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine is CCCOc1ccc(C2CC(CN)=NN2Cc2ccccc2)cc1.
What is the InChIKey of [2-benzyl-3-(4-propoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine?
The InChIKey is DVLGTQPWRQQHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-2-12-24-19-10-8-17(9-11-19)20-13-18(14-21)22-23(20)15-16-6-4-3-5-7-16/h3-11,20H,2,12-15,21H2,1H3.
What are the key properties of [2-benzyl-3-(4-propoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine?
[2-benzyl-3-(4-propoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine has a molecular weight of 323.44 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-benzyl-3-(4-propoxyphenyl)-3,4-dihydropyrazol-5-yl]methanamine is sourced from PubChem (CID 82072314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).