N-(1-imidazol-1-yl-3-methylbutan-2-yl)-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

C17H26N6O — CID 50950258

IUPACN-(1-imidazol-1-yl-3-methylbutan-2-yl)-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCC(C)C(Cn1ccnc1)NC(=O)c1cc2n(n1)CCCN(C)C2
InChIInChI=1S/C17H26N6O/c1-13(2)16(11-22-8-5-18-12-22)19-17(24)15-9-14-10-21(3)6-4-7-23(14)20-15/h5,8-9,12-13,16H,4,6-7,10-11H2,1-3H3,(H,19,24)
InChIKeyJBFQDRQLDHOJDP-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.37
Rot. Bonds5

About N-(1-imidazol-1-yl-3-methylbutan-2-yl)-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

N-(1-imidazol-1-yl-3-methylbutan-2-yl)-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (PubChem CID 50950258) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is N-(1-imidazol-1-yl-3-methylbutan-2-yl)-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound NameN-(1-imidazol-1-yl-3-methylbutan-2-yl)-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
PubChem CID50950258
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC NameN-(1-imidazol-1-yl-3-methylbutan-2-yl)-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCC(C)C(Cn1ccnc1)NC(=O)c1cc2n(n1)CCCN(C)C2
InChIInChI=1S/C17H26N6O/c1-13(2)16(11-22-8-5-18-12-22)19-17(24)15-9-14-10-21(3)6-4-7-23(14)20-15/h5,8-9,12-13,16H,4,6-7,10-11H2,1-3H3,(H,19,24)
InChIKeyJBFQDRQLDHOJDP-UHFFFAOYSA-N
XLogP1.37
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-yl-3-methylbutan-2-yl)-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The IUPAC name of N-(1-imidazol-1-yl-3-methylbutan-2-yl)-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (CID 50950258) is N-(1-imidazol-1-yl-3-methylbutan-2-yl)-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.
What is the SMILES notation for N-(1-imidazol-1-yl-3-methylbutan-2-yl)-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The canonical SMILES for N-(1-imidazol-1-yl-3-methylbutan-2-yl)-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is CC(C)C(Cn1ccnc1)NC(=O)c1cc2n(n1)CCCN(C)C2.
What is the InChIKey of N-(1-imidazol-1-yl-3-methylbutan-2-yl)-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The InChIKey is JBFQDRQLDHOJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-13(2)16(11-22-8-5-18-12-22)19-17(24)15-9-14-10-21(3)6-4-7-23(14)20-15/h5,8-9,12-13,16H,4,6-7,10-11H2,1-3H3,(H,19,24).
What are the key properties of N-(1-imidazol-1-yl-3-methylbutan-2-yl)-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
N-(1-imidazol-1-yl-3-methylbutan-2-yl)-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide has a molecular weight of 330.44 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-yl-3-methylbutan-2-yl)-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 50950258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).