5-amino-1-butan-2-yl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile

C12H19N5 — CID 102796158

IUPAC5-amino-1-butan-2-yl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
SMILESCCC(C)n1nc(N2CCCC2)c(C#N)c1N
InChIInChI=1S/C12H19N5/c1-3-9(2)17-11(14)10(8-13)12(15-17)16-6-4-5-7-16/h9H,3-7,14H2,1-2H3
InChIKeyKLWOBSBBOBXMOC-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.91
Rot. Bonds3

About 5-amino-1-butan-2-yl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile

5-amino-1-butan-2-yl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile (PubChem CID 102796158) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 5-amino-1-butan-2-yl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-butan-2-yl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
PubChem CID102796158
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name5-amino-1-butan-2-yl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
SMILESCCC(C)n1nc(N2CCCC2)c(C#N)c1N
InChIInChI=1S/C12H19N5/c1-3-9(2)17-11(14)10(8-13)12(15-17)16-6-4-5-7-16/h9H,3-7,14H2,1-2H3
InChIKeyKLWOBSBBOBXMOC-UHFFFAOYSA-N
XLogP1.91
TPSA70.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-tert-butyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
CID 102795651
5-amino-1-(1-cyclopropylethyl)-3-(1,4-diazepan-1-yl)pyrazole-4-carbonitrile
CID 102796207
5-amino-1-butan-2-yl-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile
CID 102796157
5-amino-3-benzyl-1-[(2S)-butan-2-yl]pyrazole-4-carbonitrile
CID 100762712
5-amino-3-(1,4-diazepan-1-yl)-1-(3-methylbutyl)pyrazole-4-carbonitrile
CID 102796236
5-amino-1-butan-2-yl-3-[(4-fluorophenyl)methyl]pyrazole-4-carbonitrile
CID 133190163
5-amino-1-butan-2-yl-3-[methyl(3,3,3-trifluoropropyl)amino]pyrazole-4-carbonitrile
CID 102796156
5-amino-1-benzyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
CID 102795490
5-amino-3-(1,4-diazepan-1-yl)-1-methylpyrazole-4-carbonitrile
CID 102795417
5-amino-3-(4-aminopiperidin-1-yl)-1-(2-methylpropyl)pyrazole-4-carbonitrile
CID 102795684
1-butan-2-yl-4-methylsulfonyl-3-piperazin-1-ylpyrazol-5-amine
CID 102826070
5-amino-1-(4-fluorophenyl)-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
CID 102795536

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-butan-2-yl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-butan-2-yl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile (CID 102796158) is 5-amino-1-butan-2-yl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-butan-2-yl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-butan-2-yl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile is CCC(C)n1nc(N2CCCC2)c(C#N)c1N.
What is the InChIKey of 5-amino-1-butan-2-yl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile?
The InChIKey is KLWOBSBBOBXMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-3-9(2)17-11(14)10(8-13)12(15-17)16-6-4-5-7-16/h9H,3-7,14H2,1-2H3.
What are the key properties of 5-amino-1-butan-2-yl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile?
5-amino-1-butan-2-yl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile has a molecular weight of 233.32 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-butan-2-yl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile is sourced from PubChem (CID 102796158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).