3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-methylamino]butanenitrile

C11H19N5 — CID 66016039

IUPAC3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-methylamino]butanenitrile
SMILESCCc1nn(C)c(N(C)C(C)CC#N)c1N
InChIInChI=1S/C11H19N5/c1-5-9-10(13)11(16(4)14-9)15(3)8(2)6-7-12/h8H,5-6,13H2,1-4H3
InChIKeyBNBZTYWVBFPTJD-UHFFFAOYSA-N
MW221.31 g/mol
LogP1.30
Rot. Bonds4

About 3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-methylamino]butanenitrile

3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-methylamino]butanenitrile (PubChem CID 66016039) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-methylamino]butanenitrile.

Molecular Properties

Compound Name3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-methylamino]butanenitrile
PubChem CID66016039
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-methylamino]butanenitrile
SMILESCCc1nn(C)c(N(C)C(C)CC#N)c1N
InChIInChI=1S/C11H19N5/c1-5-9-10(13)11(16(4)14-9)15(3)8(2)6-7-12/h8H,5-6,13H2,1-4H3
InChIKeyBNBZTYWVBFPTJD-UHFFFAOYSA-N
XLogP1.30
TPSA70.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-methylamino]butanenitrile?
The IUPAC name of 3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-methylamino]butanenitrile (CID 66016039) is 3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-methylamino]butanenitrile.
What is the SMILES notation for 3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-methylamino]butanenitrile?
The canonical SMILES for 3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-methylamino]butanenitrile is CCc1nn(C)c(N(C)C(C)CC#N)c1N.
What is the InChIKey of 3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-methylamino]butanenitrile?
The InChIKey is BNBZTYWVBFPTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-5-9-10(13)11(16(4)14-9)15(3)8(2)6-7-12/h8H,5-6,13H2,1-4H3.
What are the key properties of 3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-methylamino]butanenitrile?
3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-methylamino]butanenitrile has a molecular weight of 221.31 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-methylamino]butanenitrile is sourced from PubChem (CID 66016039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).