N-[5-cyclopropyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3,3-dimethylbutanamide

C21H27FN4O — CID 177339335

IUPACN-[5-cyclopropyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nn2c(c1-c1ccc(F)cc1)CN(C1CC1)CC2
InChIInChI=1S/C21H27FN4O/c1-21(2,3)12-18(27)23-20-19(14-4-6-15(22)7-5-14)17-13-25(16-8-9-16)10-11-26(17)24-20/h4-7,16H,8-13H2,1-3H3,(H,23,24,27)
InChIKeyUTUNOMWSWBMIFQ-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.04
Rot. Bonds4

About N-[5-cyclopropyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3,3-dimethylbutanamide

N-[5-cyclopropyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3,3-dimethylbutanamide (PubChem CID 177339335) has the molecular formula C21H27FN4O and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[5-cyclopropyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[5-cyclopropyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3,3-dimethylbutanamide
PubChem CID177339335
Molecular FormulaC21H27FN4O
Molecular Weight370.47 g/mol
Exact Mass370.22
IUPAC NameN-[5-cyclopropyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nn2c(c1-c1ccc(F)cc1)CN(C1CC1)CC2
InChIInChI=1S/C21H27FN4O/c1-21(2,3)12-18(27)23-20-19(14-4-6-15(22)7-5-14)17-13-25(16-8-9-16)10-11-26(17)24-20/h4-7,16H,8-13H2,1-3H3,(H,23,24,27)
InChIKeyUTUNOMWSWBMIFQ-UHFFFAOYSA-N
XLogP4.04
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyclopropyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[5-cyclopropyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3,3-dimethylbutanamide (CID 177339335) is N-[5-cyclopropyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[5-cyclopropyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[5-cyclopropyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1nn2c(c1-c1ccc(F)cc1)CN(C1CC1)CC2.
What is the InChIKey of N-[5-cyclopropyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3,3-dimethylbutanamide?
The InChIKey is UTUNOMWSWBMIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O/c1-21(2,3)12-18(27)23-20-19(14-4-6-15(22)7-5-14)17-13-25(16-8-9-16)10-11-26(17)24-20/h4-7,16H,8-13H2,1-3H3,(H,23,24,27).
What are the key properties of N-[5-cyclopropyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3,3-dimethylbutanamide?
N-[5-cyclopropyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3,3-dimethylbutanamide has a molecular weight of 370.47 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyclopropyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 177339335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).