N-[1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]-4-methylpyrazol-5-yl]-6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidin-4-amine

C24H23F4N7O — CID 142754146

About N-[1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]-4-methylpyrazol-5-yl]-6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidin-4-amine

N-[1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]-4-methylpyrazol-5-yl]-6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidin-4-amine (PubChem CID 142754146) has the molecular formula C24H23F4N7O and a molecular weight of 501.49 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]-4-methylpyrazol-5-yl]-6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]-4-methylpyrazol-5-yl]-6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidin-4-amine
• PubChem CID: 142754146
• Molecular Formula: C24H23F4N7O
• Molecular Weight: 501.49 g/mol
• Exact Mass: 501.19
• IUPAC Name: N-[1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]-4-methylpyrazol-5-yl]-6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidin-4-amine
• SMILES: Cc1cc(C(F)F)n(-c2cc(Nc3c(C)c(-c4ccc(OC(F)F)cc4)nn3CC3CC3)ncn2)n1
• InChI: InChI=1S/C24H23F4N7O/c1-13-9-18(22(25)26)35(32-13)20-10-19(29-12-30-20)31-23-14(2)21(33-34(23)11-15-3-4-15)16-5-7-17(8-6-16)36-24(27)28/h5-10,12,15,22,24H,3-4,11H2,1-2H3,(H,29,30,31)
• InChIKey: VKVOMHMYRSAZKS-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 82.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.49
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]-4-methylpyrazol-5-yl]-6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidin-4-amine?

The IUPAC name of N-[1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]-4-methylpyrazol-5-yl]-6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidin-4-amine (CID 142754146) is N-[1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]-4-methylpyrazol-5-yl]-6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidin-4-amine.

What is the SMILES notation for N-[1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]-4-methylpyrazol-5-yl]-6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidin-4-amine?

The canonical SMILES for N-[1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]-4-methylpyrazol-5-yl]-6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidin-4-amine is Cc1cc(C(F)F)n(-c2cc(Nc3c(C)c(-c4ccc(OC(F)F)cc4)nn3CC3CC3)ncn2)n1.

What is the InChIKey of N-[1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]-4-methylpyrazol-5-yl]-6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidin-4-amine?

The InChIKey is VKVOMHMYRSAZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F4N7O/c1-13-9-18(22(25)26)35(32-13)20-10-19(29-12-30-20)31-23-14(2)21(33-34(23)11-15-3-4-15)16-5-7-17(8-6-16)36-24(27)28/h5-10,12,15,22,24H,3-4,11H2,1-2H3,(H,29,30,31).

What are the key properties of N-[1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]-4-methylpyrazol-5-yl]-6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidin-4-amine?

N-[1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]-4-methylpyrazol-5-yl]-6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidin-4-amine has a molecular weight of 501.49 g/mol, XLogP of 5.84, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]-4-methylpyrazol-5-yl]-6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 142754146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).