N,N-dimethyl-2-[[(7R)-5-[(1-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]acetamide

C17H26N6O2 — CID 97463479

IUPACN,N-dimethyl-2-[[(7R)-5-[(1-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]acetamide
SMILESCN(C)C(=O)COC[C@@H]1CN(Cc2cnn(C)c2)Cc2ccnn2C1
InChIInChI=1S/C17H26N6O2/c1-20(2)17(24)13-25-12-15-9-22(8-14-6-19-21(3)7-14)11-16-4-5-18-23(16)10-15/h4-7,15H,8-13H2,1-3H3/t15-/m1/s1
InChIKeyRKZYKMVGHXQDMS-OAHLLOKOSA-N
MW346.44 g/mol
LogP0.35
Rot. Bonds6

About N,N-dimethyl-2-[[(7R)-5-[(1-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]acetamide

N,N-dimethyl-2-[[(7R)-5-[(1-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]acetamide (PubChem CID 97463479) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(7R)-5-[(1-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(7R)-5-[(1-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]acetamide
PubChem CID97463479
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC NameN,N-dimethyl-2-[[(7R)-5-[(1-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]acetamide
SMILESCN(C)C(=O)COC[C@@H]1CN(Cc2cnn(C)c2)Cc2ccnn2C1
InChIInChI=1S/C17H26N6O2/c1-20(2)17(24)13-25-12-15-9-22(8-14-6-19-21(3)7-14)11-16-4-5-18-23(16)10-15/h4-7,15H,8-13H2,1-3H3/t15-/m1/s1
InChIKeyRKZYKMVGHXQDMS-OAHLLOKOSA-N
XLogP0.35
TPSA68.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(7R)-7-(ethoxymethyl)-5-[(1-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 97381865
2-[[5-(furan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]-N,N-dimethylacetamide
CID 131656833
(7R)-7-(methoxymethyl)-5-[(1-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 97463309
7-(cyclopropylmethoxymethyl)-5-[(1-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 155832312
5-[(1-methylpyrazol-4-yl)methyl]-7-(pyridin-3-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 131640134
2-[[5-(cyclopropylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 171693209
N,N-dimethyl-2-[[(6R)-8-(pyridin-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]acetamide
CID 97485733
N,N-dimethyl-2-[[(7S)-5-[(3S)-oxolan-3-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]acetamide
CID 98812514
N,N-dimethyl-2-[[(6R)-8-[(3-methylphenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]acetamide
CID 97484377
N,N-dimethyl-2-[[4-[(1-methylpyrazol-4-yl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methoxy]acetamide
CID 131641887
2-[[(4aR,6S,7aS)-4-[(1-methylpyrazol-4-yl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methoxy]-N,N-dimethylacetamide
CID 98815906
N,N-dimethyl-2-[[(3R)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide
CID 97477545

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(7R)-5-[(1-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(7R)-5-[(1-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]acetamide (CID 97463479) is N,N-dimethyl-2-[[(7R)-5-[(1-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(7R)-5-[(1-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(7R)-5-[(1-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]acetamide is CN(C)C(=O)COC[C@@H]1CN(Cc2cnn(C)c2)Cc2ccnn2C1.
What is the InChIKey of N,N-dimethyl-2-[[(7R)-5-[(1-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]acetamide?
The InChIKey is RKZYKMVGHXQDMS-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-20(2)17(24)13-25-12-15-9-22(8-14-6-19-21(3)7-14)11-16-4-5-18-23(16)10-15/h4-7,15H,8-13H2,1-3H3/t15-/m1/s1.
What are the key properties of N,N-dimethyl-2-[[(7R)-5-[(1-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]acetamide?
N,N-dimethyl-2-[[(7R)-5-[(1-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]acetamide has a molecular weight of 346.44 g/mol, XLogP of 0.35, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(7R)-5-[(1-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]acetamide is sourced from PubChem (CID 97463479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).