(2S)-N-[(2,4-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine

C15H21N3O2 — CID 93046419

IUPAC(2S)-N-[(2,4-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCOc1ccc(CN[C@@H](C)Cn2cccn2)c(OC)c1
InChIInChI=1S/C15H21N3O2/c1-12(11-18-8-4-7-17-18)16-10-13-5-6-14(19-2)9-15(13)20-3/h4-9,12,16H,10-11H2,1-3H3/t12-/m0/s1
InChIKeyKXTIETYNFMZTCA-LBPRGKRZSA-N
MW275.35 g/mol
LogP2.08
Rot. Bonds7

About (2S)-N-[(2,4-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine

(2S)-N-[(2,4-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine (PubChem CID 93046419) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (2S)-N-[(2,4-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(2,4-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
PubChem CID93046419
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(2S)-N-[(2,4-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCOc1ccc(CN[C@@H](C)Cn2cccn2)c(OC)c1
InChIInChI=1S/C15H21N3O2/c1-12(11-18-8-4-7-17-18)16-10-13-5-6-14(19-2)9-15(13)20-3/h4-9,12,16H,10-11H2,1-3H3/t12-/m0/s1
InChIKeyKXTIETYNFMZTCA-LBPRGKRZSA-N
XLogP2.08
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2-pyrazol-1-ylethanamine
CID 61070547
(1R)-N-[(2,4-dimethoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 26697735
1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94029275
(2R)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 38055468
2-methoxy-4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]benzonitrile
CID 106787223
1-(4-methoxyphenyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)ethanol
CID 56828855
2-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 111878877
N-[(4-prop-2-enoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43435056
N-[(4-methoxy-3-nitrophenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 61462693
1-(2,4-dimethoxyanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60898605
5-methoxy-2-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]phenol
CID 43749211
1-(4-methoxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propan-1-amine
CID 43749281

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2,4-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of (2S)-N-[(2,4-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine (CID 93046419) is (2S)-N-[(2,4-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for (2S)-N-[(2,4-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for (2S)-N-[(2,4-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine is COc1ccc(CN[C@@H](C)Cn2cccn2)c(OC)c1.
What is the InChIKey of (2S)-N-[(2,4-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is KXTIETYNFMZTCA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-12(11-18-8-4-7-17-18)16-10-13-5-6-14(19-2)9-15(13)20-3/h4-9,12,16H,10-11H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-N-[(2,4-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine?
(2S)-N-[(2,4-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 275.35 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2,4-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 93046419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).