3-[cyclopropyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]propanenitrile

C13H20N4 — CID 64773625

IUPAC3-[cyclopropyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]propanenitrile
SMILESCC(C)n1ccc(CN(CCC#N)C2CC2)n1
InChIInChI=1S/C13H20N4/c1-11(2)17-9-6-12(15-17)10-16(8-3-7-14)13-4-5-13/h6,9,11,13H,3-5,8,10H2,1-2H3
InChIKeyWSCAELSDEUSYMH-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.34
Rot. Bonds6

About 3-[cyclopropyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]propanenitrile

3-[cyclopropyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]propanenitrile (PubChem CID 64773625) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-[cyclopropyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]propanenitrile.

Molecular Properties

Compound Name3-[cyclopropyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]propanenitrile
PubChem CID64773625
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name3-[cyclopropyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]propanenitrile
SMILESCC(C)n1ccc(CN(CCC#N)C2CC2)n1
InChIInChI=1S/C13H20N4/c1-11(2)17-9-6-12(15-17)10-16(8-3-7-14)13-4-5-13/h6,9,11,13H,3-5,8,10H2,1-2H3
InChIKeyWSCAELSDEUSYMH-UHFFFAOYSA-N
XLogP2.34
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]propanenitrile?
The IUPAC name of 3-[cyclopropyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]propanenitrile (CID 64773625) is 3-[cyclopropyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]propanenitrile.
What is the SMILES notation for 3-[cyclopropyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]propanenitrile?
The canonical SMILES for 3-[cyclopropyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]propanenitrile is CC(C)n1ccc(CN(CCC#N)C2CC2)n1.
What is the InChIKey of 3-[cyclopropyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]propanenitrile?
The InChIKey is WSCAELSDEUSYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-11(2)17-9-6-12(15-17)10-16(8-3-7-14)13-4-5-13/h6,9,11,13H,3-5,8,10H2,1-2H3.
What are the key properties of 3-[cyclopropyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]propanenitrile?
3-[cyclopropyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]propanenitrile has a molecular weight of 232.33 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]propanenitrile is sourced from PubChem (CID 64773625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).