3-[[5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]-1,1-dimethylurea

C18H25N5O2 — CID 131677971

IUPAC3-[[5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]-1,1-dimethylurea
SMILESCOc1ccc(CN2Cc3ccnn3C(CNC(=O)N(C)C)C2)cc1
InChIInChI=1S/C18H25N5O2/c1-21(2)18(24)19-10-16-13-22(12-15-8-9-20-23(15)16)11-14-4-6-17(25-3)7-5-14/h4-9,16H,10-13H2,1-3H3,(H,19,24)
InChIKeyWKZJEHLGHYLDTJ-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.72
Rot. Bonds5

About 3-[[5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]-1,1-dimethylurea

3-[[5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]-1,1-dimethylurea (PubChem CID 131677971) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-[[5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[[5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]-1,1-dimethylurea
PubChem CID131677971
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name3-[[5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]-1,1-dimethylurea
SMILESCOc1ccc(CN2Cc3ccnn3C(CNC(=O)N(C)C)C2)cc1
InChIInChI=1S/C18H25N5O2/c1-21(2)18(24)19-10-16-13-22(12-15-8-9-20-23(15)16)11-14-4-6-17(25-3)7-5-14/h4-9,16H,10-13H2,1-3H3,(H,19,24)
InChIKeyWKZJEHLGHYLDTJ-UHFFFAOYSA-N
XLogP1.72
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,1-dimethyl-3-[[5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]urea
CID 131677884
N-[[5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidine-1-carboxamide
CID 131678201
N,N-dimethyl-2-[(7S)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 124801276
N-methyl-2-[5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155860747
N-[[5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidine-1-carboxamide
CID 131678553
(7S)-7-(methoxymethyl)-5-[(4-methoxyphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 97463317
N-[[5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]cyclopropanesulfonamide
CID 131677919
N-[[5-[(3,4-difluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155865427
(7R)-5-(furan-3-ylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124790479
5-(furan-3-ylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 131652106
N-(cyclopropylmethyl)-2-[5-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 131641559
N-[2-[(7R)-5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1-methylpyrrole-2-carboxamide
CID 124813571

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]-1,1-dimethylurea?
The IUPAC name of 3-[[5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]-1,1-dimethylurea (CID 131677971) is 3-[[5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[[5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]-1,1-dimethylurea?
The canonical SMILES for 3-[[5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]-1,1-dimethylurea is COc1ccc(CN2Cc3ccnn3C(CNC(=O)N(C)C)C2)cc1.
What is the InChIKey of 3-[[5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]-1,1-dimethylurea?
The InChIKey is WKZJEHLGHYLDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-21(2)18(24)19-10-16-13-22(12-15-8-9-20-23(15)16)11-14-4-6-17(25-3)7-5-14/h4-9,16H,10-13H2,1-3H3,(H,19,24).
What are the key properties of 3-[[5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]-1,1-dimethylurea?
3-[[5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]-1,1-dimethylurea has a molecular weight of 343.43 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]-1,1-dimethylurea is sourced from PubChem (CID 131677971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).