5-amino-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]pyrazole-4-carbonitrile

C12H14N6O — CID 71864993

IUPAC5-amino-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]pyrazole-4-carbonitrile
SMILESCC(C)Cc1cc(C(=O)n2ncc(C#N)c2N)n[nH]1
InChIInChI=1S/C12H14N6O/c1-7(2)3-9-4-10(17-16-9)12(19)18-11(14)8(5-13)6-15-18/h4,6-7H,3,14H2,1-2H3,(H,16,17)
InChIKeyLOUFHTZJWHNRDD-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.95
Rot. Bonds3

About 5-amino-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]pyrazole-4-carbonitrile

5-amino-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]pyrazole-4-carbonitrile (PubChem CID 71864993) has the molecular formula C12H14N6O and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-amino-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]pyrazole-4-carbonitrile
PubChem CID71864993
Molecular FormulaC12H14N6O
Molecular Weight258.28 g/mol
Exact Mass258.12
IUPAC Name5-amino-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]pyrazole-4-carbonitrile
SMILESCC(C)Cc1cc(C(=O)n2ncc(C#N)c2N)n[nH]1
InChIInChI=1S/C12H14N6O/c1-7(2)3-9-4-10(17-16-9)12(19)18-11(14)8(5-13)6-15-18/h4,6-7H,3,14H2,1-2H3,(H,16,17)
InChIKeyLOUFHTZJWHNRDD-UHFFFAOYSA-N
XLogP0.95
TPSA113.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]pyrazole-4-carbonitrile (CID 71864993) is 5-amino-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]pyrazole-4-carbonitrile is CC(C)Cc1cc(C(=O)n2ncc(C#N)c2N)n[nH]1.
What is the InChIKey of 5-amino-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]pyrazole-4-carbonitrile?
The InChIKey is LOUFHTZJWHNRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O/c1-7(2)3-9-4-10(17-16-9)12(19)18-11(14)8(5-13)6-15-18/h4,6-7H,3,14H2,1-2H3,(H,16,17).
What are the key properties of 5-amino-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]pyrazole-4-carbonitrile?
5-amino-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]pyrazole-4-carbonitrile has a molecular weight of 258.28 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]pyrazole-4-carbonitrile is sourced from PubChem (CID 71864993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).