3-amino-5-propan-2-yl-1H-pyrazole-4-carbonitrile

C7H10N4 — CID 45078695

IUPAC3-amino-5-propan-2-yl-1H-pyrazole-4-carbonitrile
SMILESCC(C)c1[nH]nc(N)c1C#N
InChIInChI=1S/C7H10N4/c1-4(2)6-5(3-8)7(9)11-10-6/h4H,1-2H3,(H3,9,10,11)
InChIKeyRBJFTKKSKNDXEF-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.99
Rot. Bonds1

About 3-amino-5-propan-2-yl-1H-pyrazole-4-carbonitrile

3-amino-5-propan-2-yl-1H-pyrazole-4-carbonitrile (PubChem CID 45078695) has the molecular formula C7H10N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-amino-5-propan-2-yl-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-propan-2-yl-1H-pyrazole-4-carbonitrile
PubChem CID45078695
Molecular FormulaC7H10N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC Name3-amino-5-propan-2-yl-1H-pyrazole-4-carbonitrile
SMILESCC(C)c1[nH]nc(N)c1C#N
InChIInChI=1S/C7H10N4/c1-4(2)6-5(3-8)7(9)11-10-6/h4H,1-2H3,(H3,9,10,11)
InChIKeyRBJFTKKSKNDXEF-UHFFFAOYSA-N
XLogP0.99
TPSA78.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-propan-2-yl-1H-pyrazole-4-carbonitrile?
The IUPAC name of 3-amino-5-propan-2-yl-1H-pyrazole-4-carbonitrile (CID 45078695) is 3-amino-5-propan-2-yl-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-propan-2-yl-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-propan-2-yl-1H-pyrazole-4-carbonitrile is CC(C)c1[nH]nc(N)c1C#N.
What is the InChIKey of 3-amino-5-propan-2-yl-1H-pyrazole-4-carbonitrile?
The InChIKey is RBJFTKKSKNDXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4/c1-4(2)6-5(3-8)7(9)11-10-6/h4H,1-2H3,(H3,9,10,11).
What are the key properties of 3-amino-5-propan-2-yl-1H-pyrazole-4-carbonitrile?
3-amino-5-propan-2-yl-1H-pyrazole-4-carbonitrile has a molecular weight of 150.18 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-propan-2-yl-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 45078695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).