(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]prop-2-enamide

C19H20FN5O — CID 1235972

IUPAC(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]prop-2-enamide
SMILESCCn1ncc(/C=C/C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)c1C
InChIInChI=1S/C19H20FN5O/c1-3-25-14(2)16(10-22-25)6-9-19(26)23-18-11-21-24(13-18)12-15-4-7-17(20)8-5-15/h4-11,13H,3,12H2,1-2H3,(H,23,26)/b9-6+
InChIKeyIVHTUDNFRNDFOV-RMKNXTFCSA-N
MW353.40 g/mol
LogP3.25
Rot. Bonds6

About (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]prop-2-enamide

(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]prop-2-enamide (PubChem CID 1235972) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]prop-2-enamide
PubChem CID1235972
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]prop-2-enamide
SMILESCCn1ncc(/C=C/C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)c1C
InChIInChI=1S/C19H20FN5O/c1-3-25-14(2)16(10-22-25)6-9-19(26)23-18-11-21-24(13-18)12-15-4-7-17(20)8-5-15/h4-11,13H,3,12H2,1-2H3,(H,23,26)/b9-6+
InChIKeyIVHTUDNFRNDFOV-RMKNXTFCSA-N
XLogP3.25
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]prop-2-enamide?
The IUPAC name of (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]prop-2-enamide (CID 1235972) is (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]prop-2-enamide is CCn1ncc(/C=C/C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)c1C.
What is the InChIKey of (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]prop-2-enamide?
The InChIKey is IVHTUDNFRNDFOV-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-3-25-14(2)16(10-22-25)6-9-19(26)23-18-11-21-24(13-18)12-15-4-7-17(20)8-5-15/h4-11,13H,3,12H2,1-2H3,(H,23,26)/b9-6+.
What are the key properties of (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]prop-2-enamide?
(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]prop-2-enamide has a molecular weight of 353.40 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]prop-2-enamide is sourced from PubChem (CID 1235972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).