(6S)-3-[4-(methoxymethyl)pyrazol-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C19H19F3N6O2 — CID 121483815

About (6S)-3-[4-(methoxymethyl)pyrazol-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

(6S)-3-[4-(methoxymethyl)pyrazol-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 121483815) has the molecular formula C19H19F3N6O2 and a molecular weight of 420.40 g/mol. Its IUPAC name is (6S)-3-[4-(methoxymethyl)pyrazol-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

• Compound Name: (6S)-3-[4-(methoxymethyl)pyrazol-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• PubChem CID: 121483815
• Molecular Formula: C19H19F3N6O2
• Molecular Weight: 420.40 g/mol
• Exact Mass: 420.15
• IUPAC Name: (6S)-3-[4-(methoxymethyl)pyrazol-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• SMILES: COCc1cnn(-c2cnn3c2CN(C(=O)Nc2cc(F)c(F)c(F)c2)[C@@H](C)C3)c1
• InChI: InChI=1S/C19H19F3N6O2/c1-11-7-27-17(16(6-24-27)28-8-12(5-23-28)10-30-2)9-26(11)19(29)25-13-3-14(20)18(22)15(21)4-13/h3-6,8,11H,7,9-10H2,1-2H3,(H,25,29)/t11-/m0/s1
• InChIKey: RZONIDUWBWAMAI-NSHDSACASA-N
• XLogP: 3.07
• TPSA: 77.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.40
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6S)-3-[4-(methoxymethyl)pyrazol-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The IUPAC name of (6S)-3-[4-(methoxymethyl)pyrazol-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 121483815) is (6S)-3-[4-(methoxymethyl)pyrazol-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

What is the SMILES notation for (6S)-3-[4-(methoxymethyl)pyrazol-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The canonical SMILES for (6S)-3-[4-(methoxymethyl)pyrazol-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is COCc1cnn(-c2cnn3c2CN(C(=O)Nc2cc(F)c(F)c(F)c2)[C@@H](C)C3)c1.

What is the InChIKey of (6S)-3-[4-(methoxymethyl)pyrazol-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The InChIKey is RZONIDUWBWAMAI-NSHDSACASA-N. The full InChI is InChI=1S/C19H19F3N6O2/c1-11-7-27-17(16(6-24-27)28-8-12(5-23-28)10-30-2)9-26(11)19(29)25-13-3-14(20)18(22)15(21)4-13/h3-6,8,11H,7,9-10H2,1-2H3,(H,25,29)/t11-/m0/s1.

What are the key properties of (6S)-3-[4-(methoxymethyl)pyrazol-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

(6S)-3-[4-(methoxymethyl)pyrazol-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 420.40 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-3-[4-(methoxymethyl)pyrazol-1-yl]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 121483815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).