N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide

C20H25FN4O2 — CID 76859770

IUPACN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)C=Cc1c(C)nn(C)c1C
InChIInChI=1S/C20H25FN4O2/c1-5-25(13-19(26)22-12-16-6-8-17(21)9-7-16)20(27)11-10-18-14(2)23-24(4)15(18)3/h6-11H,5,12-13H2,1-4H3,(H,22,26)
InChIKeyGLVJEMLLBCJSMK-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.35
Rot. Bonds7

About N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide

N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide (PubChem CID 76859770) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
PubChem CID76859770
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC NameN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)C=Cc1c(C)nn(C)c1C
InChIInChI=1S/C20H25FN4O2/c1-5-25(13-19(26)22-12-16-6-8-17(21)9-7-16)20(27)11-10-18-14(2)23-24(4)15(18)3/h6-11H,5,12-13H2,1-4H3,(H,22,26)
InChIKeyGLVJEMLLBCJSMK-UHFFFAOYSA-N
XLogP2.35
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ripazepam
CID 33474
N5-cyclopropyl-N3-methyl-1-(phenylmethyl)pyrazole-3,5-dicarboxamide
CID 135319024
Ab-chfupyca
CID 122213879
3-tert-butyl-N-[(2S)-1-[[cyano(methyl)amino]-methylamino]-1-oxo-3-phenylpropan-2-yl]-1-methylpyrazole-5-carboxamide
CID 145964832
2-(3,5-dimethylpyrazolyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 856236
N-(4-fluorobenzyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015293
N-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide
CID 6468083
1-[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-N-(4-fluorophenyl)-3-piperidinamine
CID 24790221
N-benzyl-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 653962
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2-methylphenyl)acetamide
CID 844032
3-(2-fluorophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acrylamide
CID 1224573
1-benzyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide
CID 2108293

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide (CID 76859770) is N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)C=Cc1c(C)nn(C)c1C.
What is the InChIKey of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide?
The InChIKey is GLVJEMLLBCJSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-5-25(13-19(26)22-12-16-6-8-17(21)9-7-16)20(27)11-10-18-14(2)23-24(4)15(18)3/h6-11H,5,12-13H2,1-4H3,(H,22,26).
What are the key properties of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide?
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide has a molecular weight of 372.44 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 76859770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).