5-propan-2-yl-N-(2-pyridin-2-ylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

C18H25N5O — CID 50952632

IUPAC5-propan-2-yl-N-(2-pyridin-2-ylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCC(C)N1CCCn2nc(C(=O)NCCc3ccccn3)cc2C1
InChIInChI=1S/C18H25N5O/c1-14(2)22-10-5-11-23-16(13-22)12-17(21-23)18(24)20-9-7-15-6-3-4-8-19-15/h3-4,6,8,12,14H,5,7,9-11,13H2,1-2H3,(H,20,24)
InChIKeySZRKOTDMEVLTLB-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.86
Rot. Bonds5

About 5-propan-2-yl-N-(2-pyridin-2-ylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

5-propan-2-yl-N-(2-pyridin-2-ylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (PubChem CID 50952632) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 5-propan-2-yl-N-(2-pyridin-2-ylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-(2-pyridin-2-ylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
PubChem CID50952632
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name5-propan-2-yl-N-(2-pyridin-2-ylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCC(C)N1CCCn2nc(C(=O)NCCc3ccccn3)cc2C1
InChIInChI=1S/C18H25N5O/c1-14(2)22-10-5-11-23-16(13-22)12-17(21-23)18(24)20-9-7-15-6-3-4-8-19-15/h3-4,6,8,12,14H,5,7,9-11,13H2,1-2H3,(H,20,24)
InChIKeySZRKOTDMEVLTLB-UHFFFAOYSA-N
XLogP1.86
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-(2-pyridin-2-ylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The IUPAC name of 5-propan-2-yl-N-(2-pyridin-2-ylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (CID 50952632) is 5-propan-2-yl-N-(2-pyridin-2-ylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-(2-pyridin-2-ylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-(2-pyridin-2-ylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is CC(C)N1CCCn2nc(C(=O)NCCc3ccccn3)cc2C1.
What is the InChIKey of 5-propan-2-yl-N-(2-pyridin-2-ylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The InChIKey is SZRKOTDMEVLTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14(2)22-10-5-11-23-16(13-22)12-17(21-23)18(24)20-9-7-15-6-3-4-8-19-15/h3-4,6,8,12,14H,5,7,9-11,13H2,1-2H3,(H,20,24).
What are the key properties of 5-propan-2-yl-N-(2-pyridin-2-ylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
5-propan-2-yl-N-(2-pyridin-2-ylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-(2-pyridin-2-ylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 50952632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).