3-N-tert-butyl-2-(3-chlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

C18H22ClN5O2 — CID 118062688

IUPAC3-N-tert-butyl-2-(3-chlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC(C)(C)NC(=O)c1c(-c2cccc(Cl)c2)nn2c1CN(C(N)=O)CC2
InChIInChI=1S/C18H22ClN5O2/c1-18(2,3)21-16(25)14-13-10-23(17(20)26)7-8-24(13)22-15(14)11-5-4-6-12(19)9-11/h4-6,9H,7-8,10H2,1-3H3,(H2,20,26)(H,21,25)
InChIKeyMLDWKELRVSXPBE-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.63
Rot. Bonds2

About 3-N-tert-butyl-2-(3-chlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

3-N-tert-butyl-2-(3-chlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118062688) has the molecular formula C18H22ClN5O2 and a molecular weight of 375.86 g/mol. Its IUPAC name is 3-N-tert-butyl-2-(3-chlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-tert-butyl-2-(3-chlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
PubChem CID118062688
Molecular FormulaC18H22ClN5O2
Molecular Weight375.86 g/mol
Exact Mass375.15
IUPAC Name3-N-tert-butyl-2-(3-chlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESCC(C)(C)NC(=O)c1c(-c2cccc(Cl)c2)nn2c1CN(C(N)=O)CC2
InChIInChI=1S/C18H22ClN5O2/c1-18(2,3)21-16(25)14-13-10-23(17(20)26)7-8-24(13)22-15(14)11-5-4-6-12(19)9-11/h4-6,9H,7-8,10H2,1-3H3,(H2,20,26)(H,21,25)
InChIKeyMLDWKELRVSXPBE-UHFFFAOYSA-N
XLogP2.63
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-tert-butyl-2-(3,4-dichlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062347
3-N-tert-butyl-2-(3-methylsulfanylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061095
3-N-tert-butyl-2-quinolin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061422
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
2-(3-chlorophenyl)-5-[4-fluoro-3-(fluoromethyl)-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 162100467
3-N-tert-butyl-2-(3-cyano-5-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061667
5-N-tert-butyl-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118069218
3-N-(2,4-dichlorophenyl)-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061468
2-(3-chlorophenyl)-5-N-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062081
2-(3-chlorophenyl)-5-N-(3-methylsulfonylcyclobutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118062870
3-N-[3,5-bis(trifluoromethyl)phenyl]-2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118060741
2-(3-chlorophenyl)-5-[3-(3,3-difluorocyclobutyl)-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 160903423

Frequently Asked Questions

What is the IUPAC name of 3-N-tert-butyl-2-(3-chlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The IUPAC name of 3-N-tert-butyl-2-(3-chlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118062688) is 3-N-tert-butyl-2-(3-chlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-tert-butyl-2-(3-chlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The canonical SMILES for 3-N-tert-butyl-2-(3-chlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is CC(C)(C)NC(=O)c1c(-c2cccc(Cl)c2)nn2c1CN(C(N)=O)CC2.
What is the InChIKey of 3-N-tert-butyl-2-(3-chlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
The InChIKey is MLDWKELRVSXPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O2/c1-18(2,3)21-16(25)14-13-10-23(17(20)26)7-8-24(13)22-15(14)11-5-4-6-12(19)9-11/h4-6,9H,7-8,10H2,1-3H3,(H2,20,26)(H,21,25).
What are the key properties of 3-N-tert-butyl-2-(3-chlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?
3-N-tert-butyl-2-(3-chlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 375.86 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-tert-butyl-2-(3-chlorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118062688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).