4-amino-N-(2-cyanoethyl)-5-ethyl-N-phenyl-1H-pyrazole-3-carboxamide

C15H17N5O — CID 62081805

IUPAC4-amino-N-(2-cyanoethyl)-5-ethyl-N-phenyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)N(CCC#N)c2ccccc2)c1N
InChIInChI=1S/C15H17N5O/c1-2-12-13(17)14(19-18-12)15(21)20(10-6-9-16)11-7-4-3-5-8-11/h3-5,7-8H,2,6,10,17H2,1H3,(H,18,19)
InChIKeyLLOSAFGPWQDGEC-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.11
Rot. Bonds5

About 4-amino-N-(2-cyanoethyl)-5-ethyl-N-phenyl-1H-pyrazole-3-carboxamide

4-amino-N-(2-cyanoethyl)-5-ethyl-N-phenyl-1H-pyrazole-3-carboxamide (PubChem CID 62081805) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-amino-N-(2-cyanoethyl)-5-ethyl-N-phenyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-cyanoethyl)-5-ethyl-N-phenyl-1H-pyrazole-3-carboxamide
PubChem CID62081805
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name4-amino-N-(2-cyanoethyl)-5-ethyl-N-phenyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)N(CCC#N)c2ccccc2)c1N
InChIInChI=1S/C15H17N5O/c1-2-12-13(17)14(19-18-12)15(21)20(10-6-9-16)11-7-4-3-5-8-11/h3-5,7-8H,2,6,10,17H2,1H3,(H,18,19)
InChIKeyLLOSAFGPWQDGEC-UHFFFAOYSA-N
XLogP2.11
TPSA98.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-cyanoethyl)-N-cyclopropyl-5-ethyl-1H-pyrazole-3-carboxamide
CID 55034385
4-amino-N,5-diethyl-N-pyridin-4-yl-1H-pyrazole-3-carboxamide
CID 106934374
4-amino-N-butyl-5-methyl-N-phenyl-1H-pyrazole-3-carboxamide
CID 64586918
N-(2-cyanoethyl)-3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 43582277
4-amino-5-cyclopropyl-N-ethyl-N-phenyl-1H-pyrazole-3-carboxamide
CID 62077121
4-amino-N-benzyl-N-cyclopropyl-5-ethyl-1H-pyrazole-3-carboxamide
CID 62081458
2-bromo-N-(2-cyanoethyl)-N-phenylpropanamide
CID 107902898
3-amino-N-(2-cyanoethyl)-N-phenylthiophene-2-carboxamide
CID 61093926
4-amino-N,5-diethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 62082868
N-(2-cyanoethyl)-2,2-dimethyl-N-phenylbutanamide
CID 62679945
N-(2-cyanoethyl)-2-ethoxy-N-phenylbenzamide
CID 24694454
3-amino-2-chloro-N-(2-cyanoethyl)-N-phenylbenzamide
CID 115930125

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyanoethyl)-5-ethyl-N-phenyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-cyanoethyl)-5-ethyl-N-phenyl-1H-pyrazole-3-carboxamide (CID 62081805) is 4-amino-N-(2-cyanoethyl)-5-ethyl-N-phenyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-cyanoethyl)-5-ethyl-N-phenyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-cyanoethyl)-5-ethyl-N-phenyl-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)N(CCC#N)c2ccccc2)c1N.
What is the InChIKey of 4-amino-N-(2-cyanoethyl)-5-ethyl-N-phenyl-1H-pyrazole-3-carboxamide?
The InChIKey is LLOSAFGPWQDGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-2-12-13(17)14(19-18-12)15(21)20(10-6-9-16)11-7-4-3-5-8-11/h3-5,7-8H,2,6,10,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-N-(2-cyanoethyl)-5-ethyl-N-phenyl-1H-pyrazole-3-carboxamide?
4-amino-N-(2-cyanoethyl)-5-ethyl-N-phenyl-1H-pyrazole-3-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyanoethyl)-5-ethyl-N-phenyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62081805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).