1-(2,6-difluorophenyl)-N,4-dimethyl-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]pyrazole-3-carboxamide

C17H20F2N4O2 — CID 124742536

IUPAC1-(2,6-difluorophenyl)-N,4-dimethyl-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]pyrazole-3-carboxamide
SMILESCNC(=O)[C@@H](C)CN(C)C(=O)c1nn(-c2c(F)cccc2F)cc1C
InChIInChI=1S/C17H20F2N4O2/c1-10-9-23(15-12(18)6-5-7-13(15)19)21-14(10)17(25)22(4)8-11(2)16(24)20-3/h5-7,9,11H,8H2,1-4H3,(H,20,24)/t11-/m0/s1
InChIKeyYCTPUSOUACTLNT-NSHDSACASA-N
MW350.37 g/mol
LogP1.91
Rot. Bonds5

About 1-(2,6-difluorophenyl)-N,4-dimethyl-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]pyrazole-3-carboxamide

1-(2,6-difluorophenyl)-N,4-dimethyl-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]pyrazole-3-carboxamide (PubChem CID 124742536) has the molecular formula C17H20F2N4O2 and a molecular weight of 350.37 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N,4-dimethyl-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N,4-dimethyl-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]pyrazole-3-carboxamide
PubChem CID124742536
Molecular FormulaC17H20F2N4O2
Molecular Weight350.37 g/mol
Exact Mass350.16
IUPAC Name1-(2,6-difluorophenyl)-N,4-dimethyl-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]pyrazole-3-carboxamide
SMILESCNC(=O)[C@@H](C)CN(C)C(=O)c1nn(-c2c(F)cccc2F)cc1C
InChIInChI=1S/C17H20F2N4O2/c1-10-9-23(15-12(18)6-5-7-13(15)19)21-14(10)17(25)22(4)8-11(2)16(24)20-3/h5-7,9,11H,8H2,1-4H3,(H,20,24)/t11-/m0/s1
InChIKeyYCTPUSOUACTLNT-NSHDSACASA-N
XLogP1.91
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N,4-dimethyl-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(2,6-difluorophenyl)-N,4-dimethyl-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]pyrazole-3-carboxamide (CID 124742536) is 1-(2,6-difluorophenyl)-N,4-dimethyl-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N,4-dimethyl-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2,6-difluorophenyl)-N,4-dimethyl-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]pyrazole-3-carboxamide is CNC(=O)[C@@H](C)CN(C)C(=O)c1nn(-c2c(F)cccc2F)cc1C.
What is the InChIKey of 1-(2,6-difluorophenyl)-N,4-dimethyl-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]pyrazole-3-carboxamide?
The InChIKey is YCTPUSOUACTLNT-NSHDSACASA-N. The full InChI is InChI=1S/C17H20F2N4O2/c1-10-9-23(15-12(18)6-5-7-13(15)19)21-14(10)17(25)22(4)8-11(2)16(24)20-3/h5-7,9,11H,8H2,1-4H3,(H,20,24)/t11-/m0/s1.
What are the key properties of 1-(2,6-difluorophenyl)-N,4-dimethyl-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]pyrazole-3-carboxamide?
1-(2,6-difluorophenyl)-N,4-dimethyl-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]pyrazole-3-carboxamide has a molecular weight of 350.37 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N,4-dimethyl-N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]pyrazole-3-carboxamide is sourced from PubChem (CID 124742536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).