1-[(2S)-butan-2-yl]-N-[(2-methoxyphenyl)methyl]pyrazol-3-amine

C15H21N3O — CID 124932266

IUPAC1-[(2S)-butan-2-yl]-N-[(2-methoxyphenyl)methyl]pyrazol-3-amine
SMILESCC[C@H](C)n1ccc(NCc2ccccc2OC)n1
InChIInChI=1S/C15H21N3O/c1-4-12(2)18-10-9-15(17-18)16-11-13-7-5-6-8-14(13)19-3/h5-10,12H,4,11H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKeyRXZSOCSELZXANR-LBPRGKRZSA-N
MW259.35 g/mol
LogP3.47
Rot. Bonds6

About 1-[(2S)-butan-2-yl]-N-[(2-methoxyphenyl)methyl]pyrazol-3-amine

1-[(2S)-butan-2-yl]-N-[(2-methoxyphenyl)methyl]pyrazol-3-amine (PubChem CID 124932266) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[(2S)-butan-2-yl]-N-[(2-methoxyphenyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[(2S)-butan-2-yl]-N-[(2-methoxyphenyl)methyl]pyrazol-3-amine
PubChem CID124932266
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[(2S)-butan-2-yl]-N-[(2-methoxyphenyl)methyl]pyrazol-3-amine
SMILESCC[C@H](C)n1ccc(NCc2ccccc2OC)n1
InChIInChI=1S/C15H21N3O/c1-4-12(2)18-10-9-15(17-18)16-11-13-7-5-6-8-14(13)19-3/h5-10,12H,4,11H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKeyRXZSOCSELZXANR-LBPRGKRZSA-N
XLogP3.47
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-butan-2-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 124932352
1-butan-2-yl-N-[(4-ethoxyphenyl)methyl]pyrazol-3-amine
CID 122168215
1-[(2S)-butan-2-yl]-N-butylpyrazol-3-amine
CID 124932283
1-[(2S)-butan-2-yl]-N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]pyrazol-3-amine
CID 124932272
1-[(2S)-butan-2-yl]-N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]pyrazol-3-amine
CID 124932271
6-N-[(2-methoxyphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855280
N-[(2-methoxyphenyl)methyl]-6-methylpyridin-2-amine
CID 975932
4-N-[(2-methoxyphenyl)methyl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80770615
(2R)-N-[(2-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 28612668
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methylpyrazol-3-amine
CID 60810315
6-N-[(2-methoxyphenyl)methyl]-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872040

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-butan-2-yl]-N-[(2-methoxyphenyl)methyl]pyrazol-3-amine?
The IUPAC name of 1-[(2S)-butan-2-yl]-N-[(2-methoxyphenyl)methyl]pyrazol-3-amine (CID 124932266) is 1-[(2S)-butan-2-yl]-N-[(2-methoxyphenyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-[(2S)-butan-2-yl]-N-[(2-methoxyphenyl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-[(2S)-butan-2-yl]-N-[(2-methoxyphenyl)methyl]pyrazol-3-amine is CC[C@H](C)n1ccc(NCc2ccccc2OC)n1.
What is the InChIKey of 1-[(2S)-butan-2-yl]-N-[(2-methoxyphenyl)methyl]pyrazol-3-amine?
The InChIKey is RXZSOCSELZXANR-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-12(2)18-10-9-15(17-18)16-11-13-7-5-6-8-14(13)19-3/h5-10,12H,4,11H2,1-3H3,(H,16,17)/t12-/m0/s1.
What are the key properties of 1-[(2S)-butan-2-yl]-N-[(2-methoxyphenyl)methyl]pyrazol-3-amine?
1-[(2S)-butan-2-yl]-N-[(2-methoxyphenyl)methyl]pyrazol-3-amine has a molecular weight of 259.35 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-butan-2-yl]-N-[(2-methoxyphenyl)methyl]pyrazol-3-amine is sourced from PubChem (CID 124932266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).