5-(2-aminoethyl)-3-(2,5-difluorophenyl)-N-methyl-5-phenyl-4H-pyrazole-1-carboxamide

C19H20F2N4O — CID 10150191

IUPAC5-(2-aminoethyl)-3-(2,5-difluorophenyl)-N-methyl-5-phenyl-4H-pyrazole-1-carboxamide
SMILESCNC(=O)N1N=C(c2cc(F)ccc2F)CC1(CCN)c1ccccc1
InChIInChI=1S/C19H20F2N4O/c1-23-18(26)25-19(9-10-22,13-5-3-2-4-6-13)12-17(24-25)15-11-14(20)7-8-16(15)21/h2-8,11H,9-10,12,22H2,1H3,(H,23,26)
InChIKeyHHHCTBALKWNOEU-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.96
Rot. Bonds4

About 5-(2-aminoethyl)-3-(2,5-difluorophenyl)-N-methyl-5-phenyl-4H-pyrazole-1-carboxamide

5-(2-aminoethyl)-3-(2,5-difluorophenyl)-N-methyl-5-phenyl-4H-pyrazole-1-carboxamide (PubChem CID 10150191) has the molecular formula C19H20F2N4O and a molecular weight of 358.39 g/mol. Its IUPAC name is 5-(2-aminoethyl)-3-(2,5-difluorophenyl)-N-methyl-5-phenyl-4H-pyrazole-1-carboxamide.

Molecular Properties

Compound Name5-(2-aminoethyl)-3-(2,5-difluorophenyl)-N-methyl-5-phenyl-4H-pyrazole-1-carboxamide
PubChem CID10150191
Molecular FormulaC19H20F2N4O
Molecular Weight358.39 g/mol
Exact Mass358.16
IUPAC Name5-(2-aminoethyl)-3-(2,5-difluorophenyl)-N-methyl-5-phenyl-4H-pyrazole-1-carboxamide
SMILESCNC(=O)N1N=C(c2cc(F)ccc2F)CC1(CCN)c1ccccc1
InChIInChI=1S/C19H20F2N4O/c1-23-18(26)25-19(9-10-22,13-5-3-2-4-6-13)12-17(24-25)15-11-14(20)7-8-16(15)21/h2-8,11H,9-10,12,22H2,1H3,(H,23,26)
InChIKeyHHHCTBALKWNOEU-UHFFFAOYSA-N
XLogP2.96
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-3-(2,5-difluorophenyl)-N-methyl-5-phenyl-4H-pyrazole-1-carboxamide?
The IUPAC name of 5-(2-aminoethyl)-3-(2,5-difluorophenyl)-N-methyl-5-phenyl-4H-pyrazole-1-carboxamide (CID 10150191) is 5-(2-aminoethyl)-3-(2,5-difluorophenyl)-N-methyl-5-phenyl-4H-pyrazole-1-carboxamide.
What is the SMILES notation for 5-(2-aminoethyl)-3-(2,5-difluorophenyl)-N-methyl-5-phenyl-4H-pyrazole-1-carboxamide?
The canonical SMILES for 5-(2-aminoethyl)-3-(2,5-difluorophenyl)-N-methyl-5-phenyl-4H-pyrazole-1-carboxamide is CNC(=O)N1N=C(c2cc(F)ccc2F)CC1(CCN)c1ccccc1.
What is the InChIKey of 5-(2-aminoethyl)-3-(2,5-difluorophenyl)-N-methyl-5-phenyl-4H-pyrazole-1-carboxamide?
The InChIKey is HHHCTBALKWNOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O/c1-23-18(26)25-19(9-10-22,13-5-3-2-4-6-13)12-17(24-25)15-11-14(20)7-8-16(15)21/h2-8,11H,9-10,12,22H2,1H3,(H,23,26).
What are the key properties of 5-(2-aminoethyl)-3-(2,5-difluorophenyl)-N-methyl-5-phenyl-4H-pyrazole-1-carboxamide?
5-(2-aminoethyl)-3-(2,5-difluorophenyl)-N-methyl-5-phenyl-4H-pyrazole-1-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-3-(2,5-difluorophenyl)-N-methyl-5-phenyl-4H-pyrazole-1-carboxamide is sourced from PubChem (CID 10150191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).