(Z)-N-methyl-4-methylimino-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]but-2-en-1-amine

C15H16F3N5 — CID 143484266

IUPAC(Z)-N-methyl-4-methylimino-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]but-2-en-1-amine
SMILESC/N=C(\C=C/CNC)n1nc(-c2cccnc2)cc1C(F)(F)F
InChIInChI=1S/C15H16F3N5/c1-19-7-4-6-14(20-2)23-13(15(16,17)18)9-12(22-23)11-5-3-8-21-10-11/h3-6,8-10,19H,7H2,1-2H3/b6-4-,20-14+
InChIKeyMKTWTUKRRKPEAA-BTMWKBMXSA-N
MW323.32 g/mol
LogP2.62
Rot. Bonds4

About (Z)-N-methyl-4-methylimino-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]but-2-en-1-amine

(Z)-N-methyl-4-methylimino-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]but-2-en-1-amine (PubChem CID 143484266) has the molecular formula C15H16F3N5 and a molecular weight of 323.32 g/mol. Its IUPAC name is (Z)-N-methyl-4-methylimino-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]but-2-en-1-amine.

Molecular Properties

Compound Name(Z)-N-methyl-4-methylimino-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]but-2-en-1-amine
PubChem CID143484266
Molecular FormulaC15H16F3N5
Molecular Weight323.32 g/mol
Exact Mass323.14
IUPAC Name(Z)-N-methyl-4-methylimino-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]but-2-en-1-amine
SMILESC/N=C(\C=C/CNC)n1nc(-c2cccnc2)cc1C(F)(F)F
InChIInChI=1S/C15H16F3N5/c1-19-7-4-6-14(20-2)23-13(15(16,17)18)9-12(22-23)11-5-3-8-21-10-11/h3-6,8-10,19H,7H2,1-2H3/b6-4-,20-14+
InChIKeyMKTWTUKRRKPEAA-BTMWKBMXSA-N
XLogP2.62
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N,N,N',N'-tetramethyl-2-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]prop-1-ene-1,3-diamine
CID 91173131
(2Z,4E)-2-amino-N-benzyl-5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]hepta-2,4,6-trienamide
CID 89354101
2-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazine-1-carboxamide
CID 173142910
N-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 89354150
1-[5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]ethanone
CID 67454284
2-(2-hydroxyethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide
CID 10298748
2-pyridin-4-yl-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 154270793
CID 89354167
CID 89354167
ethyl 3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylate
CID 4225085
N-methyl-1-(1-prop-2-ynyl-3-pyridin-3-ylpyrazol-5-yl)methanamine
CID 121210871
1-ethyl-3-pyridin-3-ylpyrazole-5-carbaldehyde
CID 84761337
(E)-3-(2-fluorophenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]prop-2-enamide
CID 119102901

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-4-methylimino-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]but-2-en-1-amine?
The IUPAC name of (Z)-N-methyl-4-methylimino-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]but-2-en-1-amine (CID 143484266) is (Z)-N-methyl-4-methylimino-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]but-2-en-1-amine.
What is the SMILES notation for (Z)-N-methyl-4-methylimino-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]but-2-en-1-amine?
The canonical SMILES for (Z)-N-methyl-4-methylimino-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]but-2-en-1-amine is C/N=C(\C=C/CNC)n1nc(-c2cccnc2)cc1C(F)(F)F.
What is the InChIKey of (Z)-N-methyl-4-methylimino-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]but-2-en-1-amine?
The InChIKey is MKTWTUKRRKPEAA-BTMWKBMXSA-N. The full InChI is InChI=1S/C15H16F3N5/c1-19-7-4-6-14(20-2)23-13(15(16,17)18)9-12(22-23)11-5-3-8-21-10-11/h3-6,8-10,19H,7H2,1-2H3/b6-4-,20-14+.
What are the key properties of (Z)-N-methyl-4-methylimino-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]but-2-en-1-amine?
(Z)-N-methyl-4-methylimino-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]but-2-en-1-amine has a molecular weight of 323.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-4-methylimino-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]but-2-en-1-amine is sourced from PubChem (CID 143484266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).