N-[(7-ethyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]-1-methylpyrazole-4-carboxamide

C15H22N6O — CID 97415882

IUPACN-[(7-ethyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCCN1CCc2ncc(CNC(=O)c3cnn(C)c3)n2CC1
InChIInChI=1S/C15H22N6O/c1-3-20-5-4-14-16-9-13(21(14)7-6-20)10-17-15(22)12-8-18-19(2)11-12/h8-9,11H,3-7,10H2,1-2H3,(H,17,22)
InChIKeyTYOGKTTWPGNCTA-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.42
Rot. Bonds4

About N-[(7-ethyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]-1-methylpyrazole-4-carboxamide

N-[(7-ethyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 97415882) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[(7-ethyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(7-ethyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]-1-methylpyrazole-4-carboxamide
PubChem CID97415882
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC NameN-[(7-ethyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCCN1CCc2ncc(CNC(=O)c3cnn(C)c3)n2CC1
InChIInChI=1S/C15H22N6O/c1-3-20-5-4-14-16-9-13(21(14)7-6-20)10-17-15(22)12-8-18-19(2)11-12/h8-9,11H,3-7,10H2,1-2H3,(H,17,22)
InChIKeyTYOGKTTWPGNCTA-UHFFFAOYSA-N
XLogP0.42
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(7-ethyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]-1-methylpyrazole-4-carboxamide with MolForge

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Related Compounds

[4-[(1-Ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 53602016
(1-Methylpyrazol-4-yl)-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53614117
3-(4-methylpyrazol-1-yl)-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)propanamide
CID 72149681
N-[[7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 97390342
N-[(7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 97467591
N-[[7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 97467594
N-[2-oxo-2-[6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide
CID 118741151
N-[2-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)ethyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 124039605
1-[9-ethyl-6,7-dihydro-5H-imidazo[1,2-a][1,4]diazepin-8(9H)-yl]-3-(1H-pyrazol-1-yl)-1-propanone
CID 124049457
1-[9-(Propan-2-YL)-5H,6H,7H,8H,9H-imidazo[1,2-A][1,4]diazepin-8-YL]-3-(1H-pyrazol-1-YL)propan-1-one
CID 124049513
N-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 53504556
N-(3-imidazol-1-ylpropyl)-1,5-dimethylpyrazole-4-carboxamide
CID 53523132

Frequently Asked Questions

What is the IUPAC name of N-[(7-ethyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(7-ethyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]-1-methylpyrazole-4-carboxamide (CID 97415882) is N-[(7-ethyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(7-ethyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(7-ethyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]-1-methylpyrazole-4-carboxamide is CCN1CCc2ncc(CNC(=O)c3cnn(C)c3)n2CC1.
What is the InChIKey of N-[(7-ethyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is TYOGKTTWPGNCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-3-20-5-4-14-16-9-13(21(14)7-6-20)10-17-15(22)12-8-18-19(2)11-12/h8-9,11H,3-7,10H2,1-2H3,(H,17,22).
What are the key properties of N-[(7-ethyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]-1-methylpyrazole-4-carboxamide?
N-[(7-ethyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-ethyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 97415882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).