N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-methoxybutanamide

C19H32N4O2 — CID 70753276

IUPACN-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-methoxybutanamide
SMILESCCC(OC)C(=O)NCc1cc2n(n1)CCCN(C1CCCCC1)C2
InChIInChI=1S/C19H32N4O2/c1-3-18(25-2)19(24)20-13-15-12-17-14-22(10-7-11-23(17)21-15)16-8-5-4-6-9-16/h12,16,18H,3-11,13-14H2,1-2H3,(H,20,24)
InChIKeyAJQWPTQRVFOCLN-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.46
Rot. Bonds6

About N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-methoxybutanamide

N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-methoxybutanamide (PubChem CID 70753276) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-methoxybutanamide.

Molecular Properties

Compound NameN-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-methoxybutanamide
PubChem CID70753276
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC NameN-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-methoxybutanamide
SMILESCCC(OC)C(=O)NCc1cc2n(n1)CCCN(C1CCCCC1)C2
InChIInChI=1S/C19H32N4O2/c1-3-18(25-2)19(24)20-13-15-12-17-14-22(10-7-11-23(17)21-15)16-8-5-4-6-9-16/h12,16,18H,3-11,13-14H2,1-2H3,(H,20,24)
InChIKeyAJQWPTQRVFOCLN-UHFFFAOYSA-N
XLogP2.46
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-methoxybutanamide?
The IUPAC name of N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-methoxybutanamide (CID 70753276) is N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-methoxybutanamide.
What is the SMILES notation for N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-methoxybutanamide?
The canonical SMILES for N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-methoxybutanamide is CCC(OC)C(=O)NCc1cc2n(n1)CCCN(C1CCCCC1)C2.
What is the InChIKey of N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-methoxybutanamide?
The InChIKey is AJQWPTQRVFOCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-3-18(25-2)19(24)20-13-15-12-17-14-22(10-7-11-23(17)21-15)16-8-5-4-6-9-16/h12,16,18H,3-11,13-14H2,1-2H3,(H,20,24).
What are the key properties of N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-methoxybutanamide?
N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-methoxybutanamide has a molecular weight of 348.49 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclohexyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-methoxybutanamide is sourced from PubChem (CID 70753276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).