4-[[2-(2-acetyl-4,6-difluorophenyl)-5-methylpyrazol-3-yl]methyl]-1-(cyclopropylmethyl)-N,N-dimethylpyrazole-3-carboxamide

C23H25F2N5O2 — CID 171529230

IUPAC4-[[2-(2-acetyl-4,6-difluorophenyl)-5-methylpyrazol-3-yl]methyl]-1-(cyclopropylmethyl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCC(=O)c1cc(F)cc(F)c1-n1nc(C)cc1Cc1cn(CC2CC2)nc1C(=O)N(C)C
InChIInChI=1S/C23H25F2N5O2/c1-13-7-18(30(26-13)22-19(14(2)31)9-17(24)10-20(22)25)8-16-12-29(11-15-5-6-15)27-21(16)23(32)28(3)4/h7,9-10,12,15H,5-6,8,11H2,1-4H3
InChIKeyMDKAXBMFDIXUNT-UHFFFAOYSA-N
MW441.48 g/mol
LogP3.56
Rot. Bonds7

About 4-[[2-(2-acetyl-4,6-difluorophenyl)-5-methylpyrazol-3-yl]methyl]-1-(cyclopropylmethyl)-N,N-dimethylpyrazole-3-carboxamide

4-[[2-(2-acetyl-4,6-difluorophenyl)-5-methylpyrazol-3-yl]methyl]-1-(cyclopropylmethyl)-N,N-dimethylpyrazole-3-carboxamide (PubChem CID 171529230) has the molecular formula C23H25F2N5O2 and a molecular weight of 441.48 g/mol. Its IUPAC name is 4-[[2-(2-acetyl-4,6-difluorophenyl)-5-methylpyrazol-3-yl]methyl]-1-(cyclopropylmethyl)-N,N-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[2-(2-acetyl-4,6-difluorophenyl)-5-methylpyrazol-3-yl]methyl]-1-(cyclopropylmethyl)-N,N-dimethylpyrazole-3-carboxamide
PubChem CID171529230
Molecular FormulaC23H25F2N5O2
Molecular Weight441.48 g/mol
Exact Mass441.20
IUPAC Name4-[[2-(2-acetyl-4,6-difluorophenyl)-5-methylpyrazol-3-yl]methyl]-1-(cyclopropylmethyl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCC(=O)c1cc(F)cc(F)c1-n1nc(C)cc1Cc1cn(CC2CC2)nc1C(=O)N(C)C
InChIInChI=1S/C23H25F2N5O2/c1-13-7-18(30(26-13)22-19(14(2)31)9-17(24)10-20(22)25)8-16-12-29(11-15-5-6-15)27-21(16)23(32)28(3)4/h7,9-10,12,15H,5-6,8,11H2,1-4H3
InChIKeyMDKAXBMFDIXUNT-UHFFFAOYSA-N
XLogP3.56
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-acetyl-4,6-difluorophenyl)-5-methylpyrazol-3-yl]methyl]-1-(cyclopropylmethyl)-N,N-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-[[2-(2-acetyl-4,6-difluorophenyl)-5-methylpyrazol-3-yl]methyl]-1-(cyclopropylmethyl)-N,N-dimethylpyrazole-3-carboxamide (CID 171529230) is 4-[[2-(2-acetyl-4,6-difluorophenyl)-5-methylpyrazol-3-yl]methyl]-1-(cyclopropylmethyl)-N,N-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[2-(2-acetyl-4,6-difluorophenyl)-5-methylpyrazol-3-yl]methyl]-1-(cyclopropylmethyl)-N,N-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[2-(2-acetyl-4,6-difluorophenyl)-5-methylpyrazol-3-yl]methyl]-1-(cyclopropylmethyl)-N,N-dimethylpyrazole-3-carboxamide is CC(=O)c1cc(F)cc(F)c1-n1nc(C)cc1Cc1cn(CC2CC2)nc1C(=O)N(C)C.
What is the InChIKey of 4-[[2-(2-acetyl-4,6-difluorophenyl)-5-methylpyrazol-3-yl]methyl]-1-(cyclopropylmethyl)-N,N-dimethylpyrazole-3-carboxamide?
The InChIKey is MDKAXBMFDIXUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N5O2/c1-13-7-18(30(26-13)22-19(14(2)31)9-17(24)10-20(22)25)8-16-12-29(11-15-5-6-15)27-21(16)23(32)28(3)4/h7,9-10,12,15H,5-6,8,11H2,1-4H3.
What are the key properties of 4-[[2-(2-acetyl-4,6-difluorophenyl)-5-methylpyrazol-3-yl]methyl]-1-(cyclopropylmethyl)-N,N-dimethylpyrazole-3-carboxamide?
4-[[2-(2-acetyl-4,6-difluorophenyl)-5-methylpyrazol-3-yl]methyl]-1-(cyclopropylmethyl)-N,N-dimethylpyrazole-3-carboxamide has a molecular weight of 441.48 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-acetyl-4,6-difluorophenyl)-5-methylpyrazol-3-yl]methyl]-1-(cyclopropylmethyl)-N,N-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 171529230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).