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

C11H17N5O — CID 66124522

IUPAC4-amino-N-(2-cyanoethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)N(C)CCC#N)c1N
InChIInChI=1S/C11H17N5O/c1-4-8-9(13)10(16(3)14-8)11(17)15(2)7-5-6-12/h4-5,7,13H2,1-3H3
InChIKeyKAOCFWGNXJNMIT-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.55
Rot. Bonds4

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

4-amino-N-(2-cyanoethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide (PubChem CID 66124522) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-amino-N-(2-cyanoethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-cyanoethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
PubChem CID66124522
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name4-amino-N-(2-cyanoethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)N(C)CCC#N)c1N
InChIInChI=1S/C11H17N5O/c1-4-8-9(13)10(16(3)14-8)11(17)15(2)7-5-6-12/h4-5,7,13H2,1-3H3
InChIKeyKAOCFWGNXJNMIT-UHFFFAOYSA-N
XLogP0.55
TPSA87.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Amino-1-methyl-3-propyl-1H-pyrazole-5-carboxamide
CID 3338044
4-amino-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 13822925
4-amino-5-ethyl-1-(2-methoxyethyl)-1H-Pyrazole-3-carboxamide
CID 11264312
(10S)-5-ethyl-6-methyl-1,4,5,8-tetrazatricyclo[8.3.0.03,7]trideca-3,6,8-trien-2-one
CID 10059827
4-Amino-1-methyl-3-propyl-1H-pyrazole-5-carboxamide--hydrogen chloride (1/1)
CID 10220063
(10S)-4-ethyl-6-methyl-1,4,5,8-tetrazatricyclo[8.3.0.03,7]trideca-3(7),5,8-trien-2-one
CID 10082668
2-(6,7-dimethyl-4-oxopyrazolo[4,3-d]triazin-3-yl)-N,N-dimethylacetamide
CID 39892266
(10S)-4,6-dimethyl-1,4,5,8-tetrazatricyclo[8.3.0.03,7]trideca-3(7),5,8-trien-2-one
CID 44318375
3-ethyl-1-methyl-6-[3-(2-oxopyrrolidin-1-yl)propyl]-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 124218981
4-Amino-5-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-3-carboxamide
CID 58935662
4-Amino-3-ethyl-1-[1-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide
CID 68889746
4-Amino-1-methyl-5-propyl-1H-pyrazole-3-carboxamide
CID 4133207

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyanoethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-cyanoethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide (CID 66124522) is 4-amino-N-(2-cyanoethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-cyanoethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-cyanoethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide is CCc1nn(C)c(C(=O)N(C)CCC#N)c1N.
What is the InChIKey of 4-amino-N-(2-cyanoethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
The InChIKey is KAOCFWGNXJNMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-4-8-9(13)10(16(3)14-8)11(17)15(2)7-5-6-12/h4-5,7,13H2,1-3H3.
What are the key properties of 4-amino-N-(2-cyanoethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
4-amino-N-(2-cyanoethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyanoethyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 66124522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).