6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide

C12H16N6O — CID 131655982

IUPAC6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
SMILESNC(=O)N1Cc2nccn2CC(Cn2cccn2)C1
InChIInChI=1S/C12H16N6O/c13-12(19)17-7-10(8-18-4-1-2-15-18)6-16-5-3-14-11(16)9-17/h1-5,10H,6-9H2,(H2,13,19)
InChIKeyBSOHWXKIYRTRTR-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.29
Rot. Bonds2

About 6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide

6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide (PubChem CID 131655982) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide.

Molecular Properties

Compound Name6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
PubChem CID131655982
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
SMILESNC(=O)N1Cc2nccn2CC(Cn2cccn2)C1
InChIInChI=1S/C12H16N6O/c13-12(19)17-7-10(8-18-4-1-2-15-18)6-16-5-3-14-11(16)9-17/h1-5,10H,6-9H2,(H2,13,19)
InChIKeyBSOHWXKIYRTRTR-UHFFFAOYSA-N
XLogP0.29
TPSA81.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-Propylsulfonyl-6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 118739162
6-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 118739688
8-Ethylsulfonyl-6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 118740748
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
1-(9-Ethyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl)-2-pyrazol-1-ylethanone
CID 132335079
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
1-(2-Imidazol-1-ylethyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 71894038
1-[[1-(2-Methylpropyl)imidazol-2-yl]methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]urea
CID 72117631
3-Fluoro-1-[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]propan-1-one
CID 155870664
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]propan-1-amine
CID 46986770
1-[[1-(2-Methylpropyl)imidazol-2-yl]methyl]-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 71864897

Frequently Asked Questions

What is the IUPAC name of 6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide?
The IUPAC name of 6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide (CID 131655982) is 6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide.
What is the SMILES notation for 6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide?
The canonical SMILES for 6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide is NC(=O)N1Cc2nccn2CC(Cn2cccn2)C1.
What is the InChIKey of 6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide?
The InChIKey is BSOHWXKIYRTRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c13-12(19)17-7-10(8-18-4-1-2-15-18)6-16-5-3-14-11(16)9-17/h1-5,10H,6-9H2,(H2,13,19).
What are the key properties of 6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide?
6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide is sourced from PubChem (CID 131655982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).