3-(3-amino-5-methylpyrazol-1-yl)propanenitrile

C7H10N4 — CID 62679632

IUPAC3-(3-amino-5-methylpyrazol-1-yl)propanenitrile
SMILESCc1cc(N)nn1CCC#N
InChIInChI=1S/C7H10N4/c1-6-5-7(9)10-11(6)4-2-3-8/h5H,2,4H2,1H3,(H2,9,10)
InChIKeyVVCMXMNDBNUCJJ-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.69
Rot. Bonds2

About 3-(3-amino-5-methylpyrazol-1-yl)propanenitrile

3-(3-amino-5-methylpyrazol-1-yl)propanenitrile (PubChem CID 62679632) has the molecular formula C7H10N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-(3-amino-5-methylpyrazol-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(3-amino-5-methylpyrazol-1-yl)propanenitrile
PubChem CID62679632
Molecular FormulaC7H10N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC Name3-(3-amino-5-methylpyrazol-1-yl)propanenitrile
SMILESCc1cc(N)nn1CCC#N
InChIInChI=1S/C7H10N4/c1-6-5-7(9)10-11(6)4-2-3-8/h5H,2,4H2,1H3,(H2,9,10)
InChIKeyVVCMXMNDBNUCJJ-UHFFFAOYSA-N
XLogP0.69
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-5-methylpyrazol-1-yl)propanenitrile?
The IUPAC name of 3-(3-amino-5-methylpyrazol-1-yl)propanenitrile (CID 62679632) is 3-(3-amino-5-methylpyrazol-1-yl)propanenitrile.
What is the SMILES notation for 3-(3-amino-5-methylpyrazol-1-yl)propanenitrile?
The canonical SMILES for 3-(3-amino-5-methylpyrazol-1-yl)propanenitrile is Cc1cc(N)nn1CCC#N.
What is the InChIKey of 3-(3-amino-5-methylpyrazol-1-yl)propanenitrile?
The InChIKey is VVCMXMNDBNUCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4/c1-6-5-7(9)10-11(6)4-2-3-8/h5H,2,4H2,1H3,(H2,9,10).
What are the key properties of 3-(3-amino-5-methylpyrazol-1-yl)propanenitrile?
3-(3-amino-5-methylpyrazol-1-yl)propanenitrile has a molecular weight of 150.18 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-5-methylpyrazol-1-yl)propanenitrile is sourced from PubChem (CID 62679632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).