5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

C17H20N6O2S — CID 53165239

IUPAC5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESCCn1cc(S(=O)(=O)N2CCCn3nc(-c4ccncc4)cc3C2)cn1
InChIInChI=1S/C17H20N6O2S/c1-2-21-13-16(11-19-21)26(24,25)22-8-3-9-23-15(12-22)10-17(20-23)14-4-6-18-7-5-14/h4-7,10-11,13H,2-3,8-9,12H2,1H3
InChIKeyUVWFKFHOSYUSIJ-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.76
Rot. Bonds4

About 5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (PubChem CID 53165239) has the molecular formula C17H20N6O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is 5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
PubChem CID53165239
Molecular FormulaC17H20N6O2S
Molecular Weight372.45 g/mol
Exact Mass372.14
IUPAC Name5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESCCn1cc(S(=O)(=O)N2CCCn3nc(-c4ccncc4)cc3C2)cn1
InChIInChI=1S/C17H20N6O2S/c1-2-21-13-16(11-19-21)26(24,25)22-8-3-9-23-15(12-22)10-17(20-23)14-4-6-18-7-5-14/h4-7,10-11,13H,2-3,8-9,12H2,1H3
InChIKeyUVWFKFHOSYUSIJ-UHFFFAOYSA-N
XLogP1.76
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of 5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (CID 53165239) is 5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is CCn1cc(S(=O)(=O)N2CCCn3nc(-c4ccncc4)cc3C2)cn1.
What is the InChIKey of 5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The InChIKey is UVWFKFHOSYUSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2S/c1-2-21-13-16(11-19-21)26(24,25)22-8-3-9-23-15(12-22)10-17(20-23)14-4-6-18-7-5-14/h4-7,10-11,13H,2-3,8-9,12H2,1H3.
What are the key properties of 5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine has a molecular weight of 372.45 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylpyrazol-4-yl)sulfonyl-2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 53165239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).