4-amino-N-(2-cyanoethyl)-3-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide

C14H23N5O — CID 66125119

IUPAC4-amino-N-(2-cyanoethyl)-3-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)N(CCC#N)CC(C)C)c1N
InChIInChI=1S/C14H23N5O/c1-5-11-12(16)13(18(4)17-11)14(20)19(8-6-7-15)9-10(2)3/h10H,5-6,8-9,16H2,1-4H3
InChIKeyWCKAMDJOURHAKQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.58
Rot. Bonds6

About 4-amino-N-(2-cyanoethyl)-3-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide

4-amino-N-(2-cyanoethyl)-3-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide (PubChem CID 66125119) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-amino-N-(2-cyanoethyl)-3-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-cyanoethyl)-3-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
PubChem CID66125119
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name4-amino-N-(2-cyanoethyl)-3-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)N(CCC#N)CC(C)C)c1N
InChIInChI=1S/C14H23N5O/c1-5-11-12(16)13(18(4)17-11)14(20)19(8-6-7-15)9-10(2)3/h10H,5-6,8-9,16H2,1-4H3
InChIKeyWCKAMDJOURHAKQ-UHFFFAOYSA-N
XLogP1.58
TPSA87.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.58
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-N-(1-cyanopropan-2-yl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66116761
4-amino-N-(2-cyanoethyl)-N-ethyl-1,3-dimethylpyrazole-5-carboxamide
CID 66125538
4-amino-N,N-bis(2-cyanoethyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66125344
4-amino-N-butan-2-yl-N,3-diethyl-1-methylpyrazole-5-carboxamide
CID 66125494
4-amino-3-ethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-5-carboxamide
CID 66119069
4-amino-N-(2-cyanoethyl)-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide
CID 61113965
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-ethyl-1-methyl-N-propylpyrazole-5-carboxamide
CID 66125502
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-1-methyl-N-propylpyrazole-5-carboxamide
CID 66125305
4-amino-N-[3-(dimethylamino)propyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66119287
6-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 62160013

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyanoethyl)-3-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-cyanoethyl)-3-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide (CID 66125119) is 4-amino-N-(2-cyanoethyl)-3-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-cyanoethyl)-3-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-cyanoethyl)-3-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide is CCc1nn(C)c(C(=O)N(CCC#N)CC(C)C)c1N.
What is the InChIKey of 4-amino-N-(2-cyanoethyl)-3-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide?
The InChIKey is WCKAMDJOURHAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-5-11-12(16)13(18(4)17-11)14(20)19(8-6-7-15)9-10(2)3/h10H,5-6,8-9,16H2,1-4H3.
What are the key properties of 4-amino-N-(2-cyanoethyl)-3-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide?
4-amino-N-(2-cyanoethyl)-3-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.58, 6 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-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 66125119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).