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

C14H20N6O — CID 97467220

IUPAC1-methyl-N-[(7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]pyrazole-4-carboxamide
SMILESCN1CCc2ncc(CNC(=O)c3cnn(C)c3)n2CC1
InChIInChI=1S/C14H20N6O/c1-18-4-3-13-15-8-12(20(13)6-5-18)9-16-14(21)11-7-17-19(2)10-11/h7-8,10H,3-6,9H2,1-2H3,(H,16,21)
InChIKeyRYZJUTYELPQDPU-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.03
Rot. Bonds3

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

1-methyl-N-[(7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]pyrazole-4-carboxamide (PubChem CID 97467220) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-methyl-N-[(7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]pyrazole-4-carboxamide
PubChem CID97467220
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name1-methyl-N-[(7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]pyrazole-4-carboxamide
SMILESCN1CCc2ncc(CNC(=O)c3cnn(C)c3)n2CC1
InChIInChI=1S/C14H20N6O/c1-18-4-3-13-15-8-12(20(13)6-5-18)9-16-14(21)11-7-17-19(2)10-11/h7-8,10H,3-6,9H2,1-2H3,(H,16,21)
InChIKeyRYZJUTYELPQDPU-UHFFFAOYSA-N
XLogP0.03
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-N-[(7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]pyrazole-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 1-methyl-N-[(7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[(7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]pyrazole-4-carboxamide (CID 97467220) is 1-methyl-N-[(7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]pyrazole-4-carboxamide is CN1CCc2ncc(CNC(=O)c3cnn(C)c3)n2CC1.
What is the InChIKey of 1-methyl-N-[(7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is RYZJUTYELPQDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-18-4-3-13-15-8-12(20(13)6-5-18)9-16-14(21)11-7-17-19(2)10-11/h7-8,10H,3-6,9H2,1-2H3,(H,16,21).
What are the key properties of 1-methyl-N-[(7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]pyrazole-4-carboxamide?
1-methyl-N-[(7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 97467220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).