5-(difluoromethyl)-N-methyl-N-[(3R)-1,1,3-trimethyl-2,3-dihydroinden-4-yl]-1H-pyrazole-4-carboxamide

C18H21F2N3O — CID 121331448

IUPAC5-(difluoromethyl)-N-methyl-N-[(3R)-1,1,3-trimethyl-2,3-dihydroinden-4-yl]-1H-pyrazole-4-carboxamide
SMILESC[C@@H]1CC(C)(C)c2cccc(N(C)C(=O)c3cn[nH]c3C(F)F)c21
InChIInChI=1S/C18H21F2N3O/c1-10-8-18(2,3)12-6-5-7-13(14(10)12)23(4)17(24)11-9-21-22-15(11)16(19)20/h5-7,9-10,16H,8H2,1-4H3,(H,21,22)/t10-/m1/s1
InChIKeyAQMNWCUFNKUTNU-SNVBAGLBSA-N
MW333.38 g/mol
LogP4.41
Rot. Bonds3

About 5-(difluoromethyl)-N-methyl-N-[(3R)-1,1,3-trimethyl-2,3-dihydroinden-4-yl]-1H-pyrazole-4-carboxamide

5-(difluoromethyl)-N-methyl-N-[(3R)-1,1,3-trimethyl-2,3-dihydroinden-4-yl]-1H-pyrazole-4-carboxamide (PubChem CID 121331448) has the molecular formula C18H21F2N3O and a molecular weight of 333.38 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-methyl-N-[(3R)-1,1,3-trimethyl-2,3-dihydroinden-4-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N-methyl-N-[(3R)-1,1,3-trimethyl-2,3-dihydroinden-4-yl]-1H-pyrazole-4-carboxamide
PubChem CID121331448
Molecular FormulaC18H21F2N3O
Molecular Weight333.38 g/mol
Exact Mass333.17
IUPAC Name5-(difluoromethyl)-N-methyl-N-[(3R)-1,1,3-trimethyl-2,3-dihydroinden-4-yl]-1H-pyrazole-4-carboxamide
SMILESC[C@@H]1CC(C)(C)c2cccc(N(C)C(=O)c3cn[nH]c3C(F)F)c21
InChIInChI=1S/C18H21F2N3O/c1-10-8-18(2,3)12-6-5-7-13(14(10)12)23(4)17(24)11-9-21-22-15(11)16(19)20/h5-7,9-10,16H,8H2,1-4H3,(H,21,22)/t10-/m1/s1
InChIKeyAQMNWCUFNKUTNU-SNVBAGLBSA-N
XLogP4.41
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-methyl-N-[(3R)-1,1,3-trimethyl-2,3-dihydroinden-4-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(difluoromethyl)-N-methyl-N-[(3R)-1,1,3-trimethyl-2,3-dihydroinden-4-yl]-1H-pyrazole-4-carboxamide (CID 121331448) is 5-(difluoromethyl)-N-methyl-N-[(3R)-1,1,3-trimethyl-2,3-dihydroinden-4-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-N-methyl-N-[(3R)-1,1,3-trimethyl-2,3-dihydroinden-4-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-N-methyl-N-[(3R)-1,1,3-trimethyl-2,3-dihydroinden-4-yl]-1H-pyrazole-4-carboxamide is C[C@@H]1CC(C)(C)c2cccc(N(C)C(=O)c3cn[nH]c3C(F)F)c21.
What is the InChIKey of 5-(difluoromethyl)-N-methyl-N-[(3R)-1,1,3-trimethyl-2,3-dihydroinden-4-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is AQMNWCUFNKUTNU-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H21F2N3O/c1-10-8-18(2,3)12-6-5-7-13(14(10)12)23(4)17(24)11-9-21-22-15(11)16(19)20/h5-7,9-10,16H,8H2,1-4H3,(H,21,22)/t10-/m1/s1.
What are the key properties of 5-(difluoromethyl)-N-methyl-N-[(3R)-1,1,3-trimethyl-2,3-dihydroinden-4-yl]-1H-pyrazole-4-carboxamide?
5-(difluoromethyl)-N-methyl-N-[(3R)-1,1,3-trimethyl-2,3-dihydroinden-4-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 333.38 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-methyl-N-[(3R)-1,1,3-trimethyl-2,3-dihydroinden-4-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 121331448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).