5-N-tert-butyl-2-(3-chloro-4-ethylphenyl)spiro[4,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-3,5-dicarboxamide

C22H28ClN5O2 — CID 118087438

IUPAC5-N-tert-butyl-2-(3-chloro-4-ethylphenyl)spiro[4,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-3,5-dicarboxamide
SMILESCCc1ccc(-c2nn3c(c2C(N)=O)CN(C(=O)NC(C)(C)C)C2(CC2)C3)cc1Cl
InChIInChI=1S/C22H28ClN5O2/c1-5-13-6-7-14(10-15(13)23)18-17(19(24)29)16-11-27(20(30)25-21(2,3)4)22(8-9-22)12-28(16)26-18/h6-7,10H,5,8-9,11-12H2,1-4H3,(H2,24,29)(H,25,30)
InChIKeyYUFVSRISCYCYHK-UHFFFAOYSA-N
MW429.95 g/mol
LogP3.72
Rot. Bonds3

About 5-N-tert-butyl-2-(3-chloro-4-ethylphenyl)spiro[4,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-3,5-dicarboxamide

5-N-tert-butyl-2-(3-chloro-4-ethylphenyl)spiro[4,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-3,5-dicarboxamide (PubChem CID 118087438) has the molecular formula C22H28ClN5O2 and a molecular weight of 429.95 g/mol. Its IUPAC name is 5-N-tert-butyl-2-(3-chloro-4-ethylphenyl)spiro[4,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-tert-butyl-2-(3-chloro-4-ethylphenyl)spiro[4,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-3,5-dicarboxamide
PubChem CID118087438
Molecular FormulaC22H28ClN5O2
Molecular Weight429.95 g/mol
Exact Mass429.19
IUPAC Name5-N-tert-butyl-2-(3-chloro-4-ethylphenyl)spiro[4,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-3,5-dicarboxamide
SMILESCCc1ccc(-c2nn3c(c2C(N)=O)CN(C(=O)NC(C)(C)C)C2(CC2)C3)cc1Cl
InChIInChI=1S/C22H28ClN5O2/c1-5-13-6-7-14(10-15(13)23)18-17(19(24)29)16-11-27(20(30)25-21(2,3)4)22(8-9-22)12-28(16)26-18/h6-7,10H,5,8-9,11-12H2,1-4H3,(H2,24,29)(H,25,30)
InChIKeyYUFVSRISCYCYHK-UHFFFAOYSA-N
XLogP3.72
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(3-chloro-4-ethylphenyl)-3-(diazenylcarbamoyl)spiro[4,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-5-carboxylate
CID 136949995
2-(3-chloro-4-fluorophenyl)-5-[2-(4-isocyano-3-methylphenyl)acetyl]spiro[4,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-3-carboxamide
CID 146697997
5-N-tert-butyl-2-(3-chloro-4-fluorophenyl)-7,7-bis(fluoromethyl)-4,6-dihydropyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118071309
2-(3-chloro-4-fluorophenyl)spiro[5,7-dihydro-4H-pyrazolo[1,5-a]pyridine-6,1'-cyclopropane]-3-carboxamide
CID 118069321
2-(3-chloro-4-fluorophenyl)-5-N-(4-fluoro-2-methylpentan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118087454
3-N-tert-butyl-2-(3,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062347
2-(3-chlorophenyl)-5-N-(1-hydroxy-2-methylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062214
5-N-tert-butyl-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118069218
2-(3-chloro-4-fluorophenyl)-5-N-(1-methylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 123662925
tert-butyl 3-carbamoyl-2-(3-chloro-4-fluorophenyl)-9,9-difluoro-4,6,7,8,10,11-hexahydropyrazolo[1,5-a][1,4]diazecine-5-carboxylate
CID 123441722
tert-butyl 7-butyl-3-carbamoyl-2-(3-chloro-4-ethylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 118085466
2-(3-chloro-4-fluorophenyl)-5-N-[2-methyl-1-oxo-1-(propan-2-ylamino)propan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118071142

Frequently Asked Questions

What is the IUPAC name of 5-N-tert-butyl-2-(3-chloro-4-ethylphenyl)spiro[4,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-3,5-dicarboxamide?
The IUPAC name of 5-N-tert-butyl-2-(3-chloro-4-ethylphenyl)spiro[4,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-3,5-dicarboxamide (CID 118087438) is 5-N-tert-butyl-2-(3-chloro-4-ethylphenyl)spiro[4,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-3,5-dicarboxamide.
What is the SMILES notation for 5-N-tert-butyl-2-(3-chloro-4-ethylphenyl)spiro[4,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-3,5-dicarboxamide?
The canonical SMILES for 5-N-tert-butyl-2-(3-chloro-4-ethylphenyl)spiro[4,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-3,5-dicarboxamide is CCc1ccc(-c2nn3c(c2C(N)=O)CN(C(=O)NC(C)(C)C)C2(CC2)C3)cc1Cl.
What is the InChIKey of 5-N-tert-butyl-2-(3-chloro-4-ethylphenyl)spiro[4,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-3,5-dicarboxamide?
The InChIKey is YUFVSRISCYCYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN5O2/c1-5-13-6-7-14(10-15(13)23)18-17(19(24)29)16-11-27(20(30)25-21(2,3)4)22(8-9-22)12-28(16)26-18/h6-7,10H,5,8-9,11-12H2,1-4H3,(H2,24,29)(H,25,30).
What are the key properties of 5-N-tert-butyl-2-(3-chloro-4-ethylphenyl)spiro[4,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-3,5-dicarboxamide?
5-N-tert-butyl-2-(3-chloro-4-ethylphenyl)spiro[4,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-3,5-dicarboxamide has a molecular weight of 429.95 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-tert-butyl-2-(3-chloro-4-ethylphenyl)spiro[4,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-3,5-dicarboxamide is sourced from PubChem (CID 118087438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).