5-(difluoromethyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-3-carboxamide

C15H18F2N4O — CID 126439688

About 5-(difluoromethyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-3-carboxamide

5-(difluoromethyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-3-carboxamide (PubChem CID 126439688) has the molecular formula C15H18F2N4O and a molecular weight of 308.33 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(difluoromethyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-3-carboxamide
• PubChem CID: 126439688
• Molecular Formula: C15H18F2N4O
• Molecular Weight: 308.33 g/mol
• Exact Mass: 308.14
• IUPAC Name: 5-(difluoromethyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-3-carboxamide
• SMILES: Cc1ccnc(C[C@@H](C)N(C)C(=O)c2cc(C(F)F)[nH]n2)c1
• InChI: InChI=1S/C15H18F2N4O/c1-9-4-5-18-11(6-9)7-10(2)21(3)15(22)13-8-12(14(16)17)19-20-13/h4-6,8,10,14H,7H2,1-3H3,(H,19,20)/t10-/m1/s1
• InChIKey: FAUSIIJYNIZPKA-SNVBAGLBSA-N
• XLogP: 2.75
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	308.33
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-3-carboxamide?

The IUPAC name of 5-(difluoromethyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-3-carboxamide (CID 126439688) is 5-(difluoromethyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-3-carboxamide.

What is the SMILES notation for 5-(difluoromethyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-3-carboxamide?

The canonical SMILES for 5-(difluoromethyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-3-carboxamide is Cc1ccnc(C[C@@H](C)N(C)C(=O)c2cc(C(F)F)[nH]n2)c1.

What is the InChIKey of 5-(difluoromethyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-3-carboxamide?

The InChIKey is FAUSIIJYNIZPKA-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18F2N4O/c1-9-4-5-18-11(6-9)7-10(2)21(3)15(22)13-8-12(14(16)17)19-20-13/h4-6,8,10,14H,7H2,1-3H3,(H,19,20)/t10-/m1/s1.

What are the key properties of 5-(difluoromethyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-3-carboxamide?

5-(difluoromethyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 308.33 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(difluoromethyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 126439688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).