4-amino-N-(2-cyanoethyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide

C11H17N5O — CID 65355273

IUPAC4-amino-N-(2-cyanoethyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)N(CCC#N)C(=O)c1nn(C)cc1N
InChIInChI=1S/C11H17N5O/c1-8(2)16(6-4-5-12)11(17)10-9(13)7-15(3)14-10/h7-8H,4,6,13H2,1-3H3
InChIKeyRFJCRBJXCUMVML-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.77
Rot. Bonds4

About 4-amino-N-(2-cyanoethyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide

4-amino-N-(2-cyanoethyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide (PubChem CID 65355273) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-amino-N-(2-cyanoethyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-cyanoethyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
PubChem CID65355273
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name4-amino-N-(2-cyanoethyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)N(CCC#N)C(=O)c1nn(C)cc1N
InChIInChI=1S/C11H17N5O/c1-8(2)16(6-4-5-12)11(17)10-9(13)7-15(3)14-10/h7-8H,4,6,13H2,1-3H3
InChIKeyRFJCRBJXCUMVML-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyanoethyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-cyanoethyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide (CID 65355273) is 4-amino-N-(2-cyanoethyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-cyanoethyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-cyanoethyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide is CC(C)N(CCC#N)C(=O)c1nn(C)cc1N.
What is the InChIKey of 4-amino-N-(2-cyanoethyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is RFJCRBJXCUMVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-8(2)16(6-4-5-12)11(17)10-9(13)7-15(3)14-10/h7-8H,4,6,13H2,1-3H3.
What are the key properties of 4-amino-N-(2-cyanoethyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide?
4-amino-N-(2-cyanoethyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.77, 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)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 65355273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).