1-[(2S)-butan-2-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine

C13H21N5 — CID 124932352

IUPAC1-[(2S)-butan-2-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine
SMILESCC[C@H](C)n1ccc(NCc2cnn(C)c2C)n1
InChIInChI=1S/C13H21N5/c1-5-10(2)18-7-6-13(16-18)14-8-12-9-15-17(4)11(12)3/h6-7,9-10H,5,8H2,1-4H3,(H,14,16)/t10-/m0/s1
InChIKeyXJVXUUSOBPWXMW-JTQLQIEISA-N
MW247.35 g/mol
LogP2.51
Rot. Bonds5

About 1-[(2S)-butan-2-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine

1-[(2S)-butan-2-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine (PubChem CID 124932352) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 1-[(2S)-butan-2-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[(2S)-butan-2-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine
PubChem CID124932352
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name1-[(2S)-butan-2-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine
SMILESCC[C@H](C)n1ccc(NCc2cnn(C)c2C)n1
InChIInChI=1S/C13H21N5/c1-5-10(2)18-7-6-13(16-18)14-8-12-9-15-17(4)11(12)3/h6-7,9-10H,5,8H2,1-4H3,(H,14,16)/t10-/m0/s1
InChIKeyXJVXUUSOBPWXMW-JTQLQIEISA-N
XLogP2.51
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-propylpyrazol-3-amine
CID 19626352
1-butan-2-yl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 122166550
1-[(2S)-butan-2-yl]-N-[(2-methoxyphenyl)methyl]pyrazol-3-amine
CID 124932266
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
1-[(2S)-butan-2-yl]-N-butylpyrazol-3-amine
CID 124932283
(2R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]butan-2-amine
CID 93459109
1-butan-2-yl-N-[(4-ethoxyphenyl)methyl]pyrazol-3-amine
CID 122168215
1-butan-2-yl-N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride
CID 126965762
N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride
CID 126967623
1-(difluoromethyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride
CID 126964934
2-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazine-2,5-diamine
CID 106040838

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-butan-2-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine?
The IUPAC name of 1-[(2S)-butan-2-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine (CID 124932352) is 1-[(2S)-butan-2-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-[(2S)-butan-2-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-[(2S)-butan-2-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine is CC[C@H](C)n1ccc(NCc2cnn(C)c2C)n1.
What is the InChIKey of 1-[(2S)-butan-2-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine?
The InChIKey is XJVXUUSOBPWXMW-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N5/c1-5-10(2)18-7-6-13(16-18)14-8-12-9-15-17(4)11(12)3/h6-7,9-10H,5,8H2,1-4H3,(H,14,16)/t10-/m0/s1.
What are the key properties of 1-[(2S)-butan-2-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine?
1-[(2S)-butan-2-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine has a molecular weight of 247.35 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-butan-2-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 124932352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).