5-N-tert-butyl-2-(3-fluoro-5-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

C19H24FN5O3 — CID 118069229

IUPAC5-N-tert-butyl-2-(3-fluoro-5-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCOc1cc(F)cc(-c2nn3c(c2C(N)=O)CN(C(=O)NC(C)(C)C)CC3)c1
InChIInChI=1S/C19H24FN5O3/c1-19(2,3)22-18(27)24-5-6-25-14(10-24)15(17(21)26)16(23-25)11-7-12(20)9-13(8-11)28-4/h7-9H,5-6,10H2,1-4H3,(H2,21,26)(H,22,27)
InChIKeySVLQDNHAEYMAEQ-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.12
Rot. Bonds3

About 5-N-tert-butyl-2-(3-fluoro-5-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

5-N-tert-butyl-2-(3-fluoro-5-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118069229) has the molecular formula C19H24FN5O3 and a molecular weight of 389.43 g/mol. Its IUPAC name is 5-N-tert-butyl-2-(3-fluoro-5-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-tert-butyl-2-(3-fluoro-5-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118069229
Molecular FormulaC19H24FN5O3
Molecular Weight389.43 g/mol
Exact Mass389.19
IUPAC Name5-N-tert-butyl-2-(3-fluoro-5-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCOc1cc(F)cc(-c2nn3c(c2C(N)=O)CN(C(=O)NC(C)(C)C)CC3)c1
InChIInChI=1S/C19H24FN5O3/c1-19(2,3)22-18(27)24-5-6-25-14(10-24)15(17(21)26)16(23-25)11-7-12(20)9-13(8-11)28-4/h7-9H,5-6,10H2,1-4H3,(H2,21,26)(H,22,27)
InChIKeySVLQDNHAEYMAEQ-UHFFFAOYSA-N
XLogP2.12
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-tert-butyl-2-(3-fluoro-5-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 5-N-tert-butyl-2-(3-fluoro-5-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118069229) is 5-N-tert-butyl-2-(3-fluoro-5-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-tert-butyl-2-(3-fluoro-5-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 5-N-tert-butyl-2-(3-fluoro-5-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is COc1cc(F)cc(-c2nn3c(c2C(N)=O)CN(C(=O)NC(C)(C)C)CC3)c1.
What is the InChIKey of 5-N-tert-butyl-2-(3-fluoro-5-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is SVLQDNHAEYMAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O3/c1-19(2,3)22-18(27)24-5-6-25-14(10-24)15(17(21)26)16(23-25)11-7-12(20)9-13(8-11)28-4/h7-9H,5-6,10H2,1-4H3,(H2,21,26)(H,22,27).
What are the key properties of 5-N-tert-butyl-2-(3-fluoro-5-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
5-N-tert-butyl-2-(3-fluoro-5-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 389.43 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-tert-butyl-2-(3-fluoro-5-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118069229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).