1-[(3,4-difluorophenyl)methyl]-N-[3-(1H-indazol-6-yl)prop-2-enyl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide

C23H21F2N5O2 — CID 67185786

IUPAC1-[(3,4-difluorophenyl)methyl]-N-[3-(1H-indazol-6-yl)prop-2-enyl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC=Cc2ccc3cn[nH]c3c2)c(=O)n(Cc2ccc(F)c(F)c2)n1C
InChIInChI=1S/C23H21F2N5O2/c1-14-21(23(32)30(29(14)2)13-16-6-8-18(24)19(25)10-16)22(31)26-9-3-4-15-5-7-17-12-27-28-20(17)11-15/h3-8,10-12H,9,13H2,1-2H3,(H,26,31)(H,27,28)
InChIKeyDGMUPVMRZDAXHH-UHFFFAOYSA-N
MW437.45 g/mol
LogP3.14
Rot. Bonds6

About 1-[(3,4-difluorophenyl)methyl]-N-[3-(1H-indazol-6-yl)prop-2-enyl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide

1-[(3,4-difluorophenyl)methyl]-N-[3-(1H-indazol-6-yl)prop-2-enyl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide (PubChem CID 67185786) has the molecular formula C23H21F2N5O2 and a molecular weight of 437.45 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-N-[3-(1H-indazol-6-yl)prop-2-enyl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-N-[3-(1H-indazol-6-yl)prop-2-enyl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide
PubChem CID67185786
Molecular FormulaC23H21F2N5O2
Molecular Weight437.45 g/mol
Exact Mass437.17
IUPAC Name1-[(3,4-difluorophenyl)methyl]-N-[3-(1H-indazol-6-yl)prop-2-enyl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC=Cc2ccc3cn[nH]c3c2)c(=O)n(Cc2ccc(F)c(F)c2)n1C
InChIInChI=1S/C23H21F2N5O2/c1-14-21(23(32)30(29(14)2)13-16-6-8-18(24)19(25)10-16)22(31)26-9-3-4-15-5-7-17-12-27-28-20(17)11-15/h3-8,10-12H,9,13H2,1-2H3,(H,26,31)(H,27,28)
InChIKeyDGMUPVMRZDAXHH-UHFFFAOYSA-N
XLogP3.14
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-[3-(1H-indazol-6-yl)prop-2-enyl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-[3-(1H-indazol-6-yl)prop-2-enyl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide (CID 67185786) is 1-[(3,4-difluorophenyl)methyl]-N-[3-(1H-indazol-6-yl)prop-2-enyl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-N-[3-(1H-indazol-6-yl)prop-2-enyl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-N-[3-(1H-indazol-6-yl)prop-2-enyl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide is Cc1c(C(=O)NCC=Cc2ccc3cn[nH]c3c2)c(=O)n(Cc2ccc(F)c(F)c2)n1C.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-N-[3-(1H-indazol-6-yl)prop-2-enyl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide?
The InChIKey is DGMUPVMRZDAXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N5O2/c1-14-21(23(32)30(29(14)2)13-16-6-8-18(24)19(25)10-16)22(31)26-9-3-4-15-5-7-17-12-27-28-20(17)11-15/h3-8,10-12H,9,13H2,1-2H3,(H,26,31)(H,27,28).
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-N-[3-(1H-indazol-6-yl)prop-2-enyl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide?
1-[(3,4-difluorophenyl)methyl]-N-[3-(1H-indazol-6-yl)prop-2-enyl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide has a molecular weight of 437.45 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-N-[3-(1H-indazol-6-yl)prop-2-enyl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide is sourced from PubChem (CID 67185786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).