4-amino-N,N-bis(2-cyanoethyl)-1,3-dimethylpyrazole-5-carboxamide

C12H16N6O — CID 66125344

IUPAC4-amino-N,N-bis(2-cyanoethyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)N(CCC#N)CCC#N)c1N
InChIInChI=1S/C12H16N6O/c1-9-10(15)11(17(2)16-9)12(19)18(7-3-5-13)8-4-6-14/h3-4,7-8,15H2,1-2H3
InChIKeyWLCIDCWXWGIEKS-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.58
Rot. Bonds5

About 4-amino-N,N-bis(2-cyanoethyl)-1,3-dimethylpyrazole-5-carboxamide

4-amino-N,N-bis(2-cyanoethyl)-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 66125344) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-amino-N,N-bis(2-cyanoethyl)-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N,N-bis(2-cyanoethyl)-1,3-dimethylpyrazole-5-carboxamide
PubChem CID66125344
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name4-amino-N,N-bis(2-cyanoethyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)N(CCC#N)CCC#N)c1N
InChIInChI=1S/C12H16N6O/c1-9-10(15)11(17(2)16-9)12(19)18(7-3-5-13)8-4-6-14/h3-4,7-8,15H2,1-2H3
InChIKeyWLCIDCWXWGIEKS-UHFFFAOYSA-N
XLogP0.58
TPSA111.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(2-cyanoethyl)-N-ethyl-1,3-dimethylpyrazole-5-carboxamide
CID 66125538
4-amino-N-(2-cyanoethyl)-3-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 66125119
4-amino-N-(2-cyanoethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66124522
4-amino-N-(4-cyanophenyl)-N,1,3-trimethylpyrazole-5-carboxamide
CID 66125175
4-amino-N,1,3-trimethyl-N-(2-methylbutyl)pyrazole-5-carboxamide
CID 66122221
4-amino-1-ethyl-3-methyl-N,N-dipropylpyrazole-5-carboxamide
CID 66123658
4-amino-N-(cyclohexylmethyl)-N,1,3-trimethylpyrazole-5-carboxamide
CID 66125536
methyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)-methylamino]acetate
CID 66121833
4-amino-N-cyclohexyl-N-ethyl-1,3-dimethylpyrazole-5-carboxamide
CID 66119870
4-amino-N-ethyl-1,3-dimethyl-N-(4-methylphenyl)pyrazole-5-carboxamide
CID 66123231
4-amino-N,1,3-trimethyl-N-(2-pyridin-4-ylethyl)pyrazole-5-carboxamide
CID 66123007
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,N-bis(2-cyanoethyl)-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N,N-bis(2-cyanoethyl)-1,3-dimethylpyrazole-5-carboxamide (CID 66125344) is 4-amino-N,N-bis(2-cyanoethyl)-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N,N-bis(2-cyanoethyl)-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N,N-bis(2-cyanoethyl)-1,3-dimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)N(CCC#N)CCC#N)c1N.
What is the InChIKey of 4-amino-N,N-bis(2-cyanoethyl)-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is WLCIDCWXWGIEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-9-10(15)11(17(2)16-9)12(19)18(7-3-5-13)8-4-6-14/h3-4,7-8,15H2,1-2H3.
What are the key properties of 4-amino-N,N-bis(2-cyanoethyl)-1,3-dimethylpyrazole-5-carboxamide?
4-amino-N,N-bis(2-cyanoethyl)-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-bis(2-cyanoethyl)-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 66125344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).