5-[(Z)-3-iminobut-1-enyl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide

C14H14F3N5O — CID 145153348

IUPAC5-[(Z)-3-iminobut-1-enyl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide
SMILES[H]/N=C(C)/C=C\c1ccc(C(=O)Nc2cn(C)nc2C(F)(F)F)[nH]1
InChIInChI=1S/C14H14F3N5O/c1-8(18)3-4-9-5-6-10(19-9)13(23)20-11-7-22(2)21-12(11)14(15,16)17/h3-7,18-19H,1-2H3,(H,20,23)/b4-3-,18-8+
InChIKeyYIZVROSEISYWLM-BCQBIFAWSA-N
MW325.29 g/mol
LogP3.07
Rot. Bonds4

About 5-[(Z)-3-iminobut-1-enyl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide

5-[(Z)-3-iminobut-1-enyl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide (PubChem CID 145153348) has the molecular formula C14H14F3N5O and a molecular weight of 325.29 g/mol. Its IUPAC name is 5-[(Z)-3-iminobut-1-enyl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-[(Z)-3-iminobut-1-enyl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide
PubChem CID145153348
Molecular FormulaC14H14F3N5O
Molecular Weight325.29 g/mol
Exact Mass325.12
IUPAC Name5-[(Z)-3-iminobut-1-enyl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide
SMILES[H]/N=C(C)/C=C\c1ccc(C(=O)Nc2cn(C)nc2C(F)(F)F)[nH]1
InChIInChI=1S/C14H14F3N5O/c1-8(18)3-4-9-5-6-10(19-9)13(23)20-11-7-22(2)21-12(11)14(15,16)17/h3-7,18-19H,1-2H3,(H,20,23)/b4-3-,18-8+
InChIKeyYIZVROSEISYWLM-BCQBIFAWSA-N
XLogP3.07
TPSA86.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-[(Z)-3-iminobut-1-enyl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-methyl-1,2,4-triazol-3-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzamide
CID 136521772
1-(4-chlorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea
CID 2807795
1-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamoyl]pyrazole-4-carboxylic acid
CID 29097233
(E)-4-(3-tert-butyl-1-methylpyrazol-4-yl)but-3-en-2-one
CID 83094881
N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140844597
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide
CID 146088492
N-(2,5-dimethylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008319
N-[4-fluoro-2-(4-fluorophenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 66917224
1-(cyclobutylmethyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea
CID 146129965
N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide
CID 122515300
N-(4-bromo-2-methylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008385
4-fluoro-3-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]benzoic acid
CID 75516525

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-3-iminobut-1-enyl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-[(Z)-3-iminobut-1-enyl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide (CID 145153348) is 5-[(Z)-3-iminobut-1-enyl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-[(Z)-3-iminobut-1-enyl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-[(Z)-3-iminobut-1-enyl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide is [H]/N=C(C)/C=C\c1ccc(C(=O)Nc2cn(C)nc2C(F)(F)F)[nH]1.
What is the InChIKey of 5-[(Z)-3-iminobut-1-enyl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is YIZVROSEISYWLM-BCQBIFAWSA-N. The full InChI is InChI=1S/C14H14F3N5O/c1-8(18)3-4-9-5-6-10(19-9)13(23)20-11-7-22(2)21-12(11)14(15,16)17/h3-7,18-19H,1-2H3,(H,20,23)/b4-3-,18-8+.
What are the key properties of 5-[(Z)-3-iminobut-1-enyl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide?
5-[(Z)-3-iminobut-1-enyl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 325.29 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-3-iminobut-1-enyl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 145153348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).