3-(2-methylimidazol-1-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]butanamide

C19H30N6O — CID 70781862

IUPAC3-(2-methylimidazol-1-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]butanamide
SMILESCCCN1CCCn2nc(CNC(=O)CC(C)n3ccnc3C)cc2C1
InChIInChI=1S/C19H30N6O/c1-4-7-23-8-5-9-25-18(14-23)12-17(22-25)13-21-19(26)11-15(2)24-10-6-20-16(24)3/h6,10,12,15H,4-5,7-9,11,13-14H2,1-3H3,(H,21,26)
InChIKeyVZNAQRQLZJLDKY-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.27
Rot. Bonds7

About 3-(2-methylimidazol-1-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]butanamide

3-(2-methylimidazol-1-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]butanamide (PubChem CID 70781862) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is 3-(2-methylimidazol-1-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]butanamide.

Molecular Properties

Compound Name3-(2-methylimidazol-1-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]butanamide
PubChem CID70781862
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC Name3-(2-methylimidazol-1-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]butanamide
SMILESCCCN1CCCn2nc(CNC(=O)CC(C)n3ccnc3C)cc2C1
InChIInChI=1S/C19H30N6O/c1-4-7-23-8-5-9-25-18(14-23)12-17(22-25)13-21-19(26)11-15(2)24-10-6-20-16(24)3/h6,10,12,15H,4-5,7-9,11,13-14H2,1-3H3,(H,21,26)
InChIKeyVZNAQRQLZJLDKY-UHFFFAOYSA-N
XLogP2.27
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylimidazol-1-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]butanamide?
The IUPAC name of 3-(2-methylimidazol-1-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]butanamide (CID 70781862) is 3-(2-methylimidazol-1-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]butanamide.
What is the SMILES notation for 3-(2-methylimidazol-1-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]butanamide?
The canonical SMILES for 3-(2-methylimidazol-1-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]butanamide is CCCN1CCCn2nc(CNC(=O)CC(C)n3ccnc3C)cc2C1.
What is the InChIKey of 3-(2-methylimidazol-1-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]butanamide?
The InChIKey is VZNAQRQLZJLDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O/c1-4-7-23-8-5-9-25-18(14-23)12-17(22-25)13-21-19(26)11-15(2)24-10-6-20-16(24)3/h6,10,12,15H,4-5,7-9,11,13-14H2,1-3H3,(H,21,26).
What are the key properties of 3-(2-methylimidazol-1-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]butanamide?
3-(2-methylimidazol-1-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]butanamide has a molecular weight of 358.49 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylimidazol-1-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]butanamide is sourced from PubChem (CID 70781862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).