1-(3-cyanophenyl)-N-[(E,2R)-1-(ethylamino)-5-fluoropent-4-en-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C19H19F4N5O — CID 146536469

IUPAC1-(3-cyanophenyl)-N-[(E,2R)-1-(ethylamino)-5-fluoropent-4-en-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCNC[C@@H](C/C=C/F)NC(=O)c1cc(C(F)(F)F)nn1-c1cccc(C#N)c1
InChIInChI=1S/C19H19F4N5O/c1-2-25-12-14(6-4-8-20)26-18(29)16-10-17(19(21,22)23)27-28(16)15-7-3-5-13(9-15)11-24/h3-5,7-10,14,25H,2,6,12H2,1H3,(H,26,29)/b8-4+/t14-/m1/s1
InChIKeyGGAWOMIWSMEBHJ-YOIVXCQUSA-N
MW409.39 g/mol
LogP3.34
Rot. Bonds8

About 1-(3-cyanophenyl)-N-[(E,2R)-1-(ethylamino)-5-fluoropent-4-en-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide

1-(3-cyanophenyl)-N-[(E,2R)-1-(ethylamino)-5-fluoropent-4-en-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 146536469) has the molecular formula C19H19F4N5O and a molecular weight of 409.39 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-N-[(E,2R)-1-(ethylamino)-5-fluoropent-4-en-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-cyanophenyl)-N-[(E,2R)-1-(ethylamino)-5-fluoropent-4-en-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID146536469
Molecular FormulaC19H19F4N5O
Molecular Weight409.39 g/mol
Exact Mass409.15
IUPAC Name1-(3-cyanophenyl)-N-[(E,2R)-1-(ethylamino)-5-fluoropent-4-en-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCNC[C@@H](C/C=C/F)NC(=O)c1cc(C(F)(F)F)nn1-c1cccc(C#N)c1
InChIInChI=1S/C19H19F4N5O/c1-2-25-12-14(6-4-8-20)26-18(29)16-10-17(19(21,22)23)27-28(16)15-7-3-5-13(9-15)11-24/h3-5,7-10,14,25H,2,6,12H2,1H3,(H,26,29)/b8-4+/t14-/m1/s1
InChIKeyGGAWOMIWSMEBHJ-YOIVXCQUSA-N
XLogP3.34
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-cyanophenyl)-N-(ethylaminomethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 146536076
1-(3-cyanophenyl)-N-[3-(1-phenylpentyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 118356240
1-(3-cyanophenyl)-N-[5-[(3-cyanophenyl)-hydroxymethyl]-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 118356168
1-(3-cyanophenyl)-N-[2-fluoro-5-(1-phenylethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155107461
3-[5-(dihydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]benzonitrile
CID 126688167
1-(3-cyanophenyl)-N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 126665771
1-(3-cyanophenyl)-N-[3-(3-cyclopropyl-1-phenylpropyl)-1-methylcyclohexa-2,4-dien-1-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 162618252
N-(3-benzoyl-5-fluorophenyl)-1-(3-cyanophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 126665864
N-[3-[[4-(2-amino-2-methylpropoxy)phenyl]-hydroxymethyl]phenyl]-1-(3-cyanophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 146207196
N-[5-(1-chloro-3-cyclopropylpropyl)-2-fluorophenyl]-1-(3-cyanophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 118356087
N-[5-[(3-cyanophenyl)-(cyclopropylmethylamino)methyl]-2-fluorophenyl]-1-(3-formamidophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 175579698
1-(3-cyanophenyl)-N-[3-[(cyclopropylmethylamino)-pyridin-2-ylmethyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 118356201

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-N-[(E,2R)-1-(ethylamino)-5-fluoropent-4-en-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(3-cyanophenyl)-N-[(E,2R)-1-(ethylamino)-5-fluoropent-4-en-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 146536469) is 1-(3-cyanophenyl)-N-[(E,2R)-1-(ethylamino)-5-fluoropent-4-en-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(3-cyanophenyl)-N-[(E,2R)-1-(ethylamino)-5-fluoropent-4-en-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(3-cyanophenyl)-N-[(E,2R)-1-(ethylamino)-5-fluoropent-4-en-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide is CCNC[C@@H](C/C=C/F)NC(=O)c1cc(C(F)(F)F)nn1-c1cccc(C#N)c1.
What is the InChIKey of 1-(3-cyanophenyl)-N-[(E,2R)-1-(ethylamino)-5-fluoropent-4-en-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is GGAWOMIWSMEBHJ-YOIVXCQUSA-N. The full InChI is InChI=1S/C19H19F4N5O/c1-2-25-12-14(6-4-8-20)26-18(29)16-10-17(19(21,22)23)27-28(16)15-7-3-5-13(9-15)11-24/h3-5,7-10,14,25H,2,6,12H2,1H3,(H,26,29)/b8-4+/t14-/m1/s1.
What are the key properties of 1-(3-cyanophenyl)-N-[(E,2R)-1-(ethylamino)-5-fluoropent-4-en-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-(3-cyanophenyl)-N-[(E,2R)-1-(ethylamino)-5-fluoropent-4-en-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 409.39 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-N-[(E,2R)-1-(ethylamino)-5-fluoropent-4-en-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 146536469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).