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

C12H17N5O — CID 55034385

IUPAC4-amino-N-(2-cyanoethyl)-N-cyclopropyl-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)N(CCC#N)C2CC2)c1N
InChIInChI=1S/C12H17N5O/c1-2-9-10(14)11(16-15-9)12(18)17(7-3-6-13)8-4-5-8/h8H,2-5,7,14H2,1H3,(H,15,16)
InChIKeyCFXUZBZTASALNN-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.07
Rot. Bonds5

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

4-amino-N-(2-cyanoethyl)-N-cyclopropyl-5-ethyl-1H-pyrazole-3-carboxamide (PubChem CID 55034385) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-amino-N-(2-cyanoethyl)-N-cyclopropyl-5-ethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-cyanoethyl)-N-cyclopropyl-5-ethyl-1H-pyrazole-3-carboxamide
PubChem CID55034385
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name4-amino-N-(2-cyanoethyl)-N-cyclopropyl-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)N(CCC#N)C2CC2)c1N
InChIInChI=1S/C12H17N5O/c1-2-9-10(14)11(16-15-9)12(18)17(7-3-6-13)8-4-5-8/h8H,2-5,7,14H2,1H3,(H,15,16)
InChIKeyCFXUZBZTASALNN-UHFFFAOYSA-N
XLogP1.07
TPSA98.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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4-amino-N,N-dibutyl-5-ethyl-1H-pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyanoethyl)-N-cyclopropyl-5-ethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-cyanoethyl)-N-cyclopropyl-5-ethyl-1H-pyrazole-3-carboxamide (CID 55034385) is 4-amino-N-(2-cyanoethyl)-N-cyclopropyl-5-ethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-cyanoethyl)-N-cyclopropyl-5-ethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-cyanoethyl)-N-cyclopropyl-5-ethyl-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)N(CCC#N)C2CC2)c1N.
What is the InChIKey of 4-amino-N-(2-cyanoethyl)-N-cyclopropyl-5-ethyl-1H-pyrazole-3-carboxamide?
The InChIKey is CFXUZBZTASALNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-2-9-10(14)11(16-15-9)12(18)17(7-3-6-13)8-4-5-8/h8H,2-5,7,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-(2-cyanoethyl)-N-cyclopropyl-5-ethyl-1H-pyrazole-3-carboxamide?
4-amino-N-(2-cyanoethyl)-N-cyclopropyl-5-ethyl-1H-pyrazole-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.07, 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)-N-cyclopropyl-5-ethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55034385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).