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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Related Compounds

4-amino-N-(1-cyanopropan-2-yl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66116761
5-N,1-dimethyl-5-N-pentan-2-yl-3-propylpyrazole-4,5-diamine
CID 66019626
3-[[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]butanenitrile
CID 63223522
5-N-[1-(2-chlorophenyl)ethyl]-3-ethyl-5-N,1-dimethylpyrazole-4,5-diamine
CID 66015031
3-ethyl-5-N,1-dimethyl-5-N-propylpyrazole-4,5-diamine
CID 66014379
5-N-butyl-3-ethyl-5-N,1-dimethylpyrazole-4,5-diamine
CID 66016939
2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methylpropyl)amino]acetamide
CID 66016997
2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-methylamino]-N,N-dimethylacetamide
CID 66016573
2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]propan-1-ol
CID 104551141
2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-ethylamino]-N,N-dimethylacetamide
CID 66015190
4-amino-N-(2-cyanoethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66124522
5-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-ethyl-5-N,1-dimethylpyrazole-4,5-diamine
CID 105414059

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).