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

C16H15ClFN3O — CID 121020243

IUPAC(2-chloro-6-fluorophenyl)-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
SMILESO=C(c1c(F)cccc1Cl)N1CCn2nc(C3CC3)cc2C1
InChIInChI=1S/C16H15ClFN3O/c17-12-2-1-3-13(18)15(12)16(22)20-6-7-21-11(9-20)8-14(19-21)10-4-5-10/h1-3,8,10H,4-7,9H2
InChIKeyYFWPETPGWFHFPP-UHFFFAOYSA-N
MW319.77 g/mol
LogP3.21
Rot. Bonds2

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

(2-chloro-6-fluorophenyl)-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone (PubChem CID 121020243) has the molecular formula C16H15ClFN3O and a molecular weight of 319.77 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
PubChem CID121020243
Molecular FormulaC16H15ClFN3O
Molecular Weight319.77 g/mol
Exact Mass319.09
IUPAC Name(2-chloro-6-fluorophenyl)-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
SMILESO=C(c1c(F)cccc1Cl)N1CCn2nc(C3CC3)cc2C1
InChIInChI=1S/C16H15ClFN3O/c17-12-2-1-3-13(18)15(12)16(22)20-6-7-21-11(9-20)8-14(19-21)10-4-5-10/h1-3,8,10H,4-7,9H2
InChIKeyYFWPETPGWFHFPP-UHFFFAOYSA-N
XLogP3.21
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(8-fluoroimidazo[1,5-a]pyridin-3-yl)methanone
CID 136565966
(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 121020279
methyl 2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)benzoate
CID 119103036
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone
CID 108536557
1-(2-chloro-6-fluorobenzoyl)pyrrolidin-3-one
CID 84582258
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119307921
4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 119103032
(2-chloro-6-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749738
[4-(2-chloro-6-fluorobenzoyl)-1,4-diazepan-1-yl]-(2,5-dichlorophenyl)methanone
CID 108547426
(2-chloro-6-fluorophenyl)-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 36944785
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 108536978
[3-(bromomethyl)pyrrolidin-1-yl]-(2-chloro-6-fluorophenyl)methanone
CID 80667434

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone (CID 121020243) is (2-chloro-6-fluorophenyl)-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone is O=C(c1c(F)cccc1Cl)N1CCn2nc(C3CC3)cc2C1.
What is the InChIKey of (2-chloro-6-fluorophenyl)-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone?
The InChIKey is YFWPETPGWFHFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3O/c17-12-2-1-3-13(18)15(12)16(22)20-6-7-21-11(9-20)8-14(19-21)10-4-5-10/h1-3,8,10H,4-7,9H2.
What are the key properties of (2-chloro-6-fluorophenyl)-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone?
(2-chloro-6-fluorophenyl)-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone has a molecular weight of 319.77 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone is sourced from PubChem (CID 121020243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).