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

C19H32N4O2 — CID 72847675

IUPACN-[[5-(3-cyclopentylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1cc2n(n1)CCCN(CCCC1CCCC1)C2
InChIInChI=1S/C19H32N4O2/c1-25-15-19(24)20-13-17-12-18-14-22(10-5-11-23(18)21-17)9-4-8-16-6-2-3-7-16/h12,16H,2-11,13-15H2,1H3,(H,20,24)
InChIKeyMXOCCCNTAJLFAP-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.32
Rot. Bonds8

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

N-[[5-(3-cyclopentylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide (PubChem CID 72847675) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[[5-(3-cyclopentylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[5-(3-cyclopentylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide
PubChem CID72847675
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC NameN-[[5-(3-cyclopentylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1cc2n(n1)CCCN(CCCC1CCCC1)C2
InChIInChI=1S/C19H32N4O2/c1-25-15-19(24)20-13-17-12-18-14-22(10-5-11-23(18)21-17)9-4-8-16-6-2-3-7-16/h12,16H,2-11,13-15H2,1H3,(H,20,24)
InChIKeyMXOCCCNTAJLFAP-UHFFFAOYSA-N
XLogP2.32
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-isobutyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 70722530
N-[(5-cyclohexyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-methoxybutanamide
CID 70753276
N-[(5-cyclohexyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-propoxypropanamide
CID 70776116
N-[(1-cyclopentyl-5-cyclopropyl-1H-pyrazol-3-yl)methyl]-2-ethoxyacetamide
CID 71808666
N-{[5-(2-ethylbutyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methyl}-2-methoxyacetamide
CID 72921407
N-[(5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methyl]-2-ethoxyacetamide
CID 71808539
N-({5-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}methyl)-2-methoxyacetamide
CID 72841141
N-({(3S,4R)-3-(dimethylamino)-1-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]hexahydro-4-pyridinyl}methyl)-2-methoxyacetamide
CID 91921000
2-ethoxy-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide
CID 70741024
N-{[5-(2-methyl-2-morpholin-4-ylpropyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methyl}cyclobutanecarboxamide
CID 72861242
N-[[5-[(2S)-2-methylpentyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
CID 97127113
N-{[8-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]dec-2-yl]methyl}acetamide
CID 56900052

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-cyclopentylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[5-(3-cyclopentylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide (CID 72847675) is N-[[5-(3-cyclopentylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[5-(3-cyclopentylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[5-(3-cyclopentylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide is COCC(=O)NCc1cc2n(n1)CCCN(CCCC1CCCC1)C2.
What is the InChIKey of N-[[5-(3-cyclopentylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide?
The InChIKey is MXOCCCNTAJLFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-25-15-19(24)20-13-17-12-18-14-22(10-5-11-23(18)21-17)9-4-8-16-6-2-3-7-16/h12,16H,2-11,13-15H2,1H3,(H,20,24).
What are the key properties of N-[[5-(3-cyclopentylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide?
N-[[5-(3-cyclopentylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide has a molecular weight of 348.49 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-cyclopentylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 72847675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).