N-prop-2-enyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide

C8H8F3N3O — CID 47801448

IUPACN-prop-2-enyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESC=CCNC(=O)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C8H8F3N3O/c1-2-3-12-7(15)5-4-13-14-6(5)8(9,10)11/h2,4H,1,3H2,(H,12,15)(H,13,14)
InChIKeyMUFPGSZIYJWIJO-UHFFFAOYSA-N
MW219.17 g/mol
LogP1.34
Rot. Bonds3

About N-prop-2-enyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide

N-prop-2-enyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide (PubChem CID 47801448) has the molecular formula C8H8F3N3O and a molecular weight of 219.17 g/mol. Its IUPAC name is N-prop-2-enyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
PubChem CID47801448
Molecular FormulaC8H8F3N3O
Molecular Weight219.17 g/mol
Exact Mass219.06
IUPAC NameN-prop-2-enyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESC=CCNC(=O)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C8H8F3N3O/c1-2-3-12-7(15)5-4-13-14-6(5)8(9,10)11/h2,4H,1,3H2,(H,12,15)(H,13,14)
InChIKeyMUFPGSZIYJWIJO-UHFFFAOYSA-N
XLogP1.34
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-prop-2-enyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CID 47801448) is N-prop-2-enyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-prop-2-enyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-prop-2-enyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide is C=CCNC(=O)c1cn[nH]c1C(F)(F)F.
What is the InChIKey of N-prop-2-enyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is MUFPGSZIYJWIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O/c1-2-3-12-7(15)5-4-13-14-6(5)8(9,10)11/h2,4H,1,3H2,(H,12,15)(H,13,14).
What are the key properties of N-prop-2-enyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
N-prop-2-enyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 219.17 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 47801448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).