2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide;hydrochloride

C19H27ClN6O2 — CID 154896206

IUPAC2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide;hydrochloride
SMILESCN(C)C(=O)N1CCCn2nc(CNC(=O)[C@H](N)c3ccccc3)cc2C1.Cl
InChIInChI=1S/C19H26N6O2.ClH/c1-23(2)19(27)24-9-6-10-25-16(13-24)11-15(22-25)12-21-18(26)17(20)14-7-4-3-5-8-14;/h3-5,7-8,11,17H,6,9-10,12-13,20H2,1-2H3,(H,21,26);1H/t17-;/m1./s1
InChIKeyBZCRGWXWFZTKQS-UNTBIKODSA-N
MW406.92 g/mol
LogP1.51
Rot. Bonds4

About 2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide;hydrochloride

2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide;hydrochloride (PubChem CID 154896206) has the molecular formula C19H27ClN6O2 and a molecular weight of 406.92 g/mol. Its IUPAC name is 2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide;hydrochloride
PubChem CID154896206
Molecular FormulaC19H27ClN6O2
Molecular Weight406.92 g/mol
Exact Mass406.19
IUPAC Name2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide;hydrochloride
SMILESCN(C)C(=O)N1CCCn2nc(CNC(=O)[C@H](N)c3ccccc3)cc2C1.Cl
InChIInChI=1S/C19H26N6O2.ClH/c1-23(2)19(27)24-9-6-10-25-16(13-24)11-15(22-25)12-21-18(26)17(20)14-7-4-3-5-8-14;/h3-5,7-8,11,17H,6,9-10,12-13,20H2,1-2H3,(H,21,26);1H/t17-;/m1./s1
InChIKeyBZCRGWXWFZTKQS-UNTBIKODSA-N
XLogP1.51
TPSA96.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.92
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide;hydrochloride with MolForge

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Related Compounds

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N,N-dimethyl-2-[[(2-phenoxyacetyl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 70759731
N,N-dimethyl-2-[[(2-methylsulfanylacetyl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 70740006
N,N-dimethyl-2-[(pyrimidin-2-ylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 70729401
2-[[(2,3-difluorobenzoyl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 72881230
N,N-dimethyl-2-[[[2-(3-methylphenyl)acetyl]amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 70758361
N,N-dimethyl-2-[(3-pyridin-3-ylpropanoylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 70786539
2-[[[(2S)-2-hydroxy-4-methylsulfanylbutanoyl]amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 96574599
2-[[(6-cyanopyridine-3-carbonyl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 70715725
2-[[(4-tert-butylbenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 72919346
1-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-3-[(1R)-1-phenylethyl]urea
CID 70758010
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CID 70780461

Frequently Asked Questions

What is the IUPAC name of 2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide;hydrochloride?
The IUPAC name of 2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide;hydrochloride (CID 154896206) is 2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide;hydrochloride?
The canonical SMILES for 2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide;hydrochloride is CN(C)C(=O)N1CCCn2nc(CNC(=O)[C@H](N)c3ccccc3)cc2C1.Cl.
What is the InChIKey of 2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide;hydrochloride?
The InChIKey is BZCRGWXWFZTKQS-UNTBIKODSA-N. The full InChI is InChI=1S/C19H26N6O2.ClH/c1-23(2)19(27)24-9-6-10-25-16(13-24)11-15(22-25)12-21-18(26)17(20)14-7-4-3-5-8-14;/h3-5,7-8,11,17H,6,9-10,12-13,20H2,1-2H3,(H,21,26);1H/t17-;/m1./s1.
What are the key properties of 2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide;hydrochloride?
2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide;hydrochloride has a molecular weight of 406.92 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide;hydrochloride is sourced from PubChem (CID 154896206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).