tert-butyl 3-[[1-(4-methoxycarbonylphenyl)cyclopropyl]-(methylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

C24H32N4O4 — CID 172704581

IUPACtert-butyl 3-[[1-(4-methoxycarbonylphenyl)cyclopropyl]-(methylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCNC(c1cnn2c1CN(C(=O)OC(C)(C)C)CC2)C1(c2ccc(C(=O)OC)cc2)CC1
InChIInChI=1S/C24H32N4O4/c1-23(2,3)32-22(30)27-12-13-28-19(15-27)18(14-26-28)20(25-4)24(10-11-24)17-8-6-16(7-9-17)21(29)31-5/h6-9,14,20,25H,10-13,15H2,1-5H3
InChIKeyDKKMSHOQJJVVPU-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.41
Rot. Bonds5

About tert-butyl 3-[[1-(4-methoxycarbonylphenyl)cyclopropyl]-(methylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

tert-butyl 3-[[1-(4-methoxycarbonylphenyl)cyclopropyl]-(methylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 172704581) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is tert-butyl 3-[[1-(4-methoxycarbonylphenyl)cyclopropyl]-(methylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[1-(4-methoxycarbonylphenyl)cyclopropyl]-(methylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
PubChem CID172704581
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Nametert-butyl 3-[[1-(4-methoxycarbonylphenyl)cyclopropyl]-(methylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCNC(c1cnn2c1CN(C(=O)OC(C)(C)C)CC2)C1(c2ccc(C(=O)OC)cc2)CC1
InChIInChI=1S/C24H32N4O4/c1-23(2,3)32-22(30)27-12-13-28-19(15-27)18(14-26-28)20(25-4)24(10-11-24)17-8-6-16(7-9-17)21(29)31-5/h6-9,14,20,25H,10-13,15H2,1-5H3
InChIKeyDKKMSHOQJJVVPU-UHFFFAOYSA-N
XLogP3.41
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 3-[[1-(4-methoxycarbonylphenyl)cyclopropyl]-(methylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate with MolForge

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Related Compounds

[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]boronic acid
CID 163323414
tert-butyl 3-[[1-(4-methoxycarbonylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;methyl 4-[1-(methylamino)cyclopropyl]benzoate;methyl 4-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropyl]benzoate;methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]benzoate
CID 165039827
tert-butyl 3-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 169193876
tert-butyl 3-[[1-(3-bromophenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;ethane
CID 155716331
tert-butyl 3-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 121484167
tert-butyl 3-carbamoyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxylate
CID 170622419
2-[4-[1-[methyl-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]amino]cyclopropyl]phenyl]acetic acid
CID 155260057
tert-butyl 4-[(4-methoxycarbonylphenyl)carbamoyl]piperazine-1-carboxylate
CID 47039906
tert-butyl 3-(2-aminopyrimidin-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 154867794
tert-butyl 3-(4-methoxycarbonylphenyl)azetidine-1-carboxylate
CID 59452083
tert-butyl 4-[(4-methoxycarbonylphenyl)-methylcarbamoyl]piperazine-1-carboxylate;ethane
CID 144914031
tert-butyl 4-(4-methoxycarbonyl-2-methylphenyl)piperazine-1-carboxylate
CID 67048475

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[1-(4-methoxycarbonylphenyl)cyclopropyl]-(methylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The IUPAC name of tert-butyl 3-[[1-(4-methoxycarbonylphenyl)cyclopropyl]-(methylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (CID 172704581) is tert-butyl 3-[[1-(4-methoxycarbonylphenyl)cyclopropyl]-(methylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.
What is the SMILES notation for tert-butyl 3-[[1-(4-methoxycarbonylphenyl)cyclopropyl]-(methylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The canonical SMILES for tert-butyl 3-[[1-(4-methoxycarbonylphenyl)cyclopropyl]-(methylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is CNC(c1cnn2c1CN(C(=O)OC(C)(C)C)CC2)C1(c2ccc(C(=O)OC)cc2)CC1.
What is the InChIKey of tert-butyl 3-[[1-(4-methoxycarbonylphenyl)cyclopropyl]-(methylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The InChIKey is DKKMSHOQJJVVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-23(2,3)32-22(30)27-12-13-28-19(15-27)18(14-26-28)20(25-4)24(10-11-24)17-8-6-16(7-9-17)21(29)31-5/h6-9,14,20,25H,10-13,15H2,1-5H3.
What are the key properties of tert-butyl 3-[[1-(4-methoxycarbonylphenyl)cyclopropyl]-(methylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
tert-butyl 3-[[1-(4-methoxycarbonylphenyl)cyclopropyl]-(methylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 440.54 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[1-(4-methoxycarbonylphenyl)cyclopropyl]-(methylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 172704581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).