N-(2-cyanoethyl)-2-[(1-ethylpyrazol-4-yl)amino]-N-methylpropanamide

C12H19N5O — CID 86791846

IUPACN-(2-cyanoethyl)-2-[(1-ethylpyrazol-4-yl)amino]-N-methylpropanamide
SMILESCCn1cc(NC(C)C(=O)N(C)CCC#N)cn1
InChIInChI=1S/C12H19N5O/c1-4-17-9-11(8-14-17)15-10(2)12(18)16(3)7-5-6-13/h8-10,15H,4-5,7H2,1-3H3
InChIKeySJZGMOJYOAGHDF-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.08
Rot. Bonds6

About N-(2-cyanoethyl)-2-[(1-ethylpyrazol-4-yl)amino]-N-methylpropanamide

N-(2-cyanoethyl)-2-[(1-ethylpyrazol-4-yl)amino]-N-methylpropanamide (PubChem CID 86791846) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[(1-ethylpyrazol-4-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[(1-ethylpyrazol-4-yl)amino]-N-methylpropanamide
PubChem CID86791846
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-(2-cyanoethyl)-2-[(1-ethylpyrazol-4-yl)amino]-N-methylpropanamide
SMILESCCn1cc(NC(C)C(=O)N(C)CCC#N)cn1
InChIInChI=1S/C12H19N5O/c1-4-17-9-11(8-14-17)15-10(2)12(18)16(3)7-5-6-13/h8-10,15H,4-5,7H2,1-3H3
InChIKeySJZGMOJYOAGHDF-UHFFFAOYSA-N
XLogP1.08
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[(1-ethylpyrazol-4-yl)amino]-N-methylpropanamide?
The IUPAC name of N-(2-cyanoethyl)-2-[(1-ethylpyrazol-4-yl)amino]-N-methylpropanamide (CID 86791846) is N-(2-cyanoethyl)-2-[(1-ethylpyrazol-4-yl)amino]-N-methylpropanamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[(1-ethylpyrazol-4-yl)amino]-N-methylpropanamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[(1-ethylpyrazol-4-yl)amino]-N-methylpropanamide is CCn1cc(NC(C)C(=O)N(C)CCC#N)cn1.
What is the InChIKey of N-(2-cyanoethyl)-2-[(1-ethylpyrazol-4-yl)amino]-N-methylpropanamide?
The InChIKey is SJZGMOJYOAGHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-4-17-9-11(8-14-17)15-10(2)12(18)16(3)7-5-6-13/h8-10,15H,4-5,7H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-2-[(1-ethylpyrazol-4-yl)amino]-N-methylpropanamide?
N-(2-cyanoethyl)-2-[(1-ethylpyrazol-4-yl)amino]-N-methylpropanamide has a molecular weight of 249.32 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[(1-ethylpyrazol-4-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 86791846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).