5-(2,5-difluorophenyl)-N,N-diethyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide

C20H21F2N3O — CID 10193702

IUPAC5-(2,5-difluorophenyl)-N,N-diethyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESCCN(CC)C(=O)N1N=C(c2cc(F)ccc2F)CC1c1ccccc1
InChIInChI=1S/C20H21F2N3O/c1-3-24(4-2)20(26)25-19(14-8-6-5-7-9-14)13-18(23-25)16-12-15(21)10-11-17(16)22/h5-12,19H,3-4,13H2,1-2H3
InChIKeyHLJUUKUYCJJTSI-UHFFFAOYSA-N
MW357.40 g/mol
LogP4.58
Rot. Bonds4

About 5-(2,5-difluorophenyl)-N,N-diethyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide

5-(2,5-difluorophenyl)-N,N-diethyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 10193702) has the molecular formula C20H21F2N3O and a molecular weight of 357.40 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)-N,N-diethyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)-N,N-diethyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID10193702
Molecular FormulaC20H21F2N3O
Molecular Weight357.40 g/mol
Exact Mass357.17
IUPAC Name5-(2,5-difluorophenyl)-N,N-diethyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESCCN(CC)C(=O)N1N=C(c2cc(F)ccc2F)CC1c1ccccc1
InChIInChI=1S/C20H21F2N3O/c1-3-24(4-2)20(26)25-19(14-8-6-5-7-9-14)13-18(23-25)16-12-15(21)10-11-17(16)22/h5-12,19H,3-4,13H2,1-2H3
InChIKeyHLJUUKUYCJJTSI-UHFFFAOYSA-N
XLogP4.58
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)-N,N-diethyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-(2,5-difluorophenyl)-N,N-diethyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide (CID 10193702) is 5-(2,5-difluorophenyl)-N,N-diethyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-(2,5-difluorophenyl)-N,N-diethyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-(2,5-difluorophenyl)-N,N-diethyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide is CCN(CC)C(=O)N1N=C(c2cc(F)ccc2F)CC1c1ccccc1.
What is the InChIKey of 5-(2,5-difluorophenyl)-N,N-diethyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is HLJUUKUYCJJTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O/c1-3-24(4-2)20(26)25-19(14-8-6-5-7-9-14)13-18(23-25)16-12-15(21)10-11-17(16)22/h5-12,19H,3-4,13H2,1-2H3.
What are the key properties of 5-(2,5-difluorophenyl)-N,N-diethyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
5-(2,5-difluorophenyl)-N,N-diethyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 357.40 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)-N,N-diethyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 10193702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).