(E)-3-[4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-3-pyridinyl]-N-[4-(2,2-difluorobutyl)phenyl]prop-2-enehydrazide

C24H24F3N5O — CID 130329518

IUPAC(E)-3-[4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-3-pyridinyl]-N-[4-(2,2-difluorobutyl)phenyl]prop-2-enehydrazide
SMILESCCC(F)(F)Cc1ccc(N(N)C(=O)/C=C/c2cncc(F)c2-c2cnn(C3CC3)c2)cc1
InChIInChI=1S/C24H24F3N5O/c1-2-24(26,27)11-16-3-6-20(7-4-16)32(28)22(33)10-5-17-12-29-14-21(25)23(17)18-13-30-31(15-18)19-8-9-19/h3-7,10,12-15,19H,2,8-9,11,28H2,1H3/b10-5+
InChIKeyXVZAKCZAAUAAAI-BJMVGYQFSA-N
MW455.48 g/mol
LogP4.93
Rot. Bonds8

About (E)-3-[4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-3-pyridinyl]-N-[4-(2,2-difluorobutyl)phenyl]prop-2-enehydrazide

(E)-3-[4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-3-pyridinyl]-N-[4-(2,2-difluorobutyl)phenyl]prop-2-enehydrazide (PubChem CID 130329518) has the molecular formula C24H24F3N5O and a molecular weight of 455.48 g/mol. Its IUPAC name is (E)-3-[4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-3-pyridinyl]-N-[4-(2,2-difluorobutyl)phenyl]prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-[4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-3-pyridinyl]-N-[4-(2,2-difluorobutyl)phenyl]prop-2-enehydrazide
PubChem CID130329518
Molecular FormulaC24H24F3N5O
Molecular Weight455.48 g/mol
Exact Mass455.19
IUPAC Name(E)-3-[4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-3-pyridinyl]-N-[4-(2,2-difluorobutyl)phenyl]prop-2-enehydrazide
SMILESCCC(F)(F)Cc1ccc(N(N)C(=O)/C=C/c2cncc(F)c2-c2cnn(C3CC3)c2)cc1
InChIInChI=1S/C24H24F3N5O/c1-2-24(26,27)11-16-3-6-20(7-4-16)32(28)22(33)10-5-17-12-29-14-21(25)23(17)18-13-30-31(15-18)19-8-9-19/h3-7,10,12-15,19H,2,8-9,11,28H2,1H3/b10-5+
InChIKeyXVZAKCZAAUAAAI-BJMVGYQFSA-N
XLogP4.93
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.48
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (E)-3-[4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-3-pyridinyl]prop-2-enoate
CID 126568879
(E)-3-[4-(1-cyclopropylpyrazol-3-yl)-5-fluoro-3-pyridinyl]-N-[4-(2,2,2-trifluoroethyl)phenyl]prop-2-enamide
CID 126568436
(E)-N-[2-(2,2-difluoropropyl)-1,3-dihydroisoindol-5-yl]-3-[5-fluoro-4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 126568763
(E)-3-[4-(1-cyclopropylpyrazol-4-yl)-3-pyridinyl]-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-5-yl]prop-2-enamide
CID 126568526
(E)-but-2-enedioic acid;(E)-3-[4-(1-cyclopropylpyrazol-4-yl)-3-pyridinyl]-N-[4-[(3,3-difluoroazetidin-1-yl)methyl]phenyl]prop-2-enamide
CID 162675406
methyl 5-amino-2-(1-cyclopropylpyrazol-4-yl)benzoate
CID 162426999
2-(1-cyclopropylpyrazol-4-yl)butanoic acid
CID 84773136
tert-butyl 4-[4-(6-aminonaphthalen-2-yl)pyrazol-1-yl]piperidine-1-carboxylate
CID 172677769
(E)-3-[4-(1-cyclopropylpyrazol-4-yl)-3-pyridinyl]-N-[2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]prop-2-enamide
CID 126568781
2-(4-chlorophenyl)-N-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]acetamide
CID 175642742
1-[4-[4-[4-(2-hydroxyethyl)phenyl]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 166637826
(E)-3-[4-[(1S,3R)-6-(1-cyclopropylpyrazol-4-yl)-2-(2-fluoro-2-methylpropyl)-3-methyl-3,4-dihydro-1H-isoquinolin-1-yl]-3,5-difluorophenyl]prop-2-enoic acid
CID 139401564

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-3-pyridinyl]-N-[4-(2,2-difluorobutyl)phenyl]prop-2-enehydrazide?
The IUPAC name of (E)-3-[4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-3-pyridinyl]-N-[4-(2,2-difluorobutyl)phenyl]prop-2-enehydrazide (CID 130329518) is (E)-3-[4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-3-pyridinyl]-N-[4-(2,2-difluorobutyl)phenyl]prop-2-enehydrazide.
What is the SMILES notation for (E)-3-[4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-3-pyridinyl]-N-[4-(2,2-difluorobutyl)phenyl]prop-2-enehydrazide?
The canonical SMILES for (E)-3-[4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-3-pyridinyl]-N-[4-(2,2-difluorobutyl)phenyl]prop-2-enehydrazide is CCC(F)(F)Cc1ccc(N(N)C(=O)/C=C/c2cncc(F)c2-c2cnn(C3CC3)c2)cc1.
What is the InChIKey of (E)-3-[4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-3-pyridinyl]-N-[4-(2,2-difluorobutyl)phenyl]prop-2-enehydrazide?
The InChIKey is XVZAKCZAAUAAAI-BJMVGYQFSA-N. The full InChI is InChI=1S/C24H24F3N5O/c1-2-24(26,27)11-16-3-6-20(7-4-16)32(28)22(33)10-5-17-12-29-14-21(25)23(17)18-13-30-31(15-18)19-8-9-19/h3-7,10,12-15,19H,2,8-9,11,28H2,1H3/b10-5+.
What are the key properties of (E)-3-[4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-3-pyridinyl]-N-[4-(2,2-difluorobutyl)phenyl]prop-2-enehydrazide?
(E)-3-[4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-3-pyridinyl]-N-[4-(2,2-difluorobutyl)phenyl]prop-2-enehydrazide has a molecular weight of 455.48 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(1-cyclopropylpyrazol-4-yl)-5-fluoro-3-pyridinyl]-N-[4-(2,2-difluorobutyl)phenyl]prop-2-enehydrazide is sourced from PubChem (CID 130329518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).