4-amino-5-ethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide

C9H13F3N4O — CID 55174743

IUPAC4-amino-5-ethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NCCC(F)(F)F)c1N
InChIInChI=1S/C9H13F3N4O/c1-2-5-6(13)7(16-15-5)8(17)14-4-3-9(10,11)12/h2-4,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyHNJVAXAWKUZGAU-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.24
Rot. Bonds4

About 4-amino-5-ethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide

4-amino-5-ethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide (PubChem CID 55174743) has the molecular formula C9H13F3N4O and a molecular weight of 250.22 g/mol. Its IUPAC name is 4-amino-5-ethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-ethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide
PubChem CID55174743
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC Name4-amino-5-ethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NCCC(F)(F)F)c1N
InChIInChI=1S/C9H13F3N4O/c1-2-5-6(13)7(16-15-5)8(17)14-4-3-9(10,11)12/h2-4,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyHNJVAXAWKUZGAU-UHFFFAOYSA-N
XLogP1.24
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-ethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide (CID 55174743) is 4-amino-5-ethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-ethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-ethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)NCCC(F)(F)F)c1N.
What is the InChIKey of 4-amino-5-ethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is HNJVAXAWKUZGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O/c1-2-5-6(13)7(16-15-5)8(17)14-4-3-9(10,11)12/h2-4,13H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 4-amino-5-ethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide?
4-amino-5-ethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 250.22 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55174743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).