4-amino-N-(1-cyanopropan-2-yl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide

C12H19N5O — CID 66116761

IUPAC4-amino-N-(1-cyanopropan-2-yl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)N(C)C(C)CC#N)c1N
InChIInChI=1S/C12H19N5O/c1-5-9-10(14)11(17(4)15-9)12(18)16(3)8(2)6-7-13/h8H,5-6,14H2,1-4H3
InChIKeyJUTOXTAEGJSTCJ-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.94
Rot. Bonds4

About 4-amino-N-(1-cyanopropan-2-yl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide

4-amino-N-(1-cyanopropan-2-yl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide (PubChem CID 66116761) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 4-amino-N-(1-cyanopropan-2-yl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-cyanopropan-2-yl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
PubChem CID66116761
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name4-amino-N-(1-cyanopropan-2-yl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)N(C)C(C)CC#N)c1N
InChIInChI=1S/C12H19N5O/c1-5-9-10(14)11(17(4)15-9)12(18)16(3)8(2)6-7-13/h8H,5-6,14H2,1-4H3
InChIKeyJUTOXTAEGJSTCJ-UHFFFAOYSA-N
XLogP0.94
TPSA87.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(2-cyanoethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66124522
4-amino-3-ethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-5-carboxamide
CID 66119069
4-amino-N-(2-cyanoethyl)-3-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 66125119
3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-methylamino]butanenitrile
CID 66016039
4-amino-N-butan-2-yl-N,3-diethyl-1-methylpyrazole-5-carboxamide
CID 66125494
4-amino-N-(2-amino-2-oxoethyl)-3-ethyl-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
CID 66123561
4-amino-N-(cyclopropylmethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66122803
4-amino-N-[3-(dimethylamino)propyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66119287
[2-(cyanomethylamino)-2-oxoethyl] 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 66119509
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-ethyl-1-methyl-N-propylpyrazole-5-carboxamide
CID 66125502
4-amino-3-ethyl-N-(2-methoxyphenyl)-N,1-dimethylpyrazole-5-carboxamide
CID 66116756
4-amino-N-(1-methoxypropan-2-yl)-N,1,3-trimethylpyrazole-5-carboxamide
CID 66124373

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-cyanopropan-2-yl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1-cyanopropan-2-yl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide (CID 66116761) is 4-amino-N-(1-cyanopropan-2-yl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1-cyanopropan-2-yl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1-cyanopropan-2-yl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide is CCc1nn(C)c(C(=O)N(C)C(C)CC#N)c1N.
What is the InChIKey of 4-amino-N-(1-cyanopropan-2-yl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
The InChIKey is JUTOXTAEGJSTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-5-9-10(14)11(17(4)15-9)12(18)16(3)8(2)6-7-13/h8H,5-6,14H2,1-4H3.
What are the key properties of 4-amino-N-(1-cyanopropan-2-yl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
4-amino-N-(1-cyanopropan-2-yl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide has a molecular weight of 249.32 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-cyanopropan-2-yl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 66116761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).