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

C12H19N5 — CID 122166550

IUPAC1-butan-2-yl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine
SMILESCCC(C)n1ccc(NCc2ccn(C)n2)n1
InChIInChI=1S/C12H19N5/c1-4-10(2)17-8-6-12(15-17)13-9-11-5-7-16(3)14-11/h5-8,10H,4,9H2,1-3H3,(H,13,15)
InChIKeySSIFBMXZQMIZKH-UHFFFAOYSA-N
MW233.32 g/mol
LogP2.20
Rot. Bonds5

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

1-butan-2-yl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine (PubChem CID 122166550) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 1-butan-2-yl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-butan-2-yl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine
PubChem CID122166550
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name1-butan-2-yl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine
SMILESCCC(C)n1ccc(NCc2ccn(C)n2)n1
InChIInChI=1S/C12H19N5/c1-4-10(2)17-8-6-12(15-17)13-9-11-5-7-16(3)14-11/h5-8,10H,4,9H2,1-3H3,(H,13,15)
InChIKeySSIFBMXZQMIZKH-UHFFFAOYSA-N
XLogP2.20
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-butan-2-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 124932352
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
1-butan-2-yl-N-[(4-ethoxyphenyl)methyl]pyrazol-3-amine
CID 122168215
1-[(2S)-butan-2-yl]-N-[(2-methoxyphenyl)methyl]pyrazol-3-amine
CID 124932266
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,6-dichloroaniline
CID 65468826
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine
CID 64801963
1-ethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 114252049
1-butan-2-yl-N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride
CID 126965762
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,3-benzodioxol-5-amine
CID 64801213
3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine
CID 78920945

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine?
The IUPAC name of 1-butan-2-yl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine (CID 122166550) is 1-butan-2-yl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-butan-2-yl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-butan-2-yl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine is CCC(C)n1ccc(NCc2ccn(C)n2)n1.
What is the InChIKey of 1-butan-2-yl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine?
The InChIKey is SSIFBMXZQMIZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-4-10(2)17-8-6-12(15-17)13-9-11-5-7-16(3)14-11/h5-8,10H,4,9H2,1-3H3,(H,13,15).
What are the key properties of 1-butan-2-yl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine?
1-butan-2-yl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine has a molecular weight of 233.32 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 122166550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).