5-(5-chloropyrimidin-2-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole

C16H13ClFN5 — CID 56706594

IUPAC5-(5-chloropyrimidin-2-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole
SMILESFc1ccc(Cn2ncc3c2CN(c2ncc(Cl)cn2)C3)cc1
InChIInChI=1S/C16H13ClFN5/c17-13-6-19-16(20-7-13)22-9-12-5-21-23(15(12)10-22)8-11-1-3-14(18)4-2-11/h1-7H,8-10H2
InChIKeyCSWQTFQKEGPJBL-UHFFFAOYSA-N
MW329.77 g/mol
LogP3.03
Rot. Bonds3

About 5-(5-chloropyrimidin-2-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole

5-(5-chloropyrimidin-2-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole (PubChem CID 56706594) has the molecular formula C16H13ClFN5 and a molecular weight of 329.77 g/mol. Its IUPAC name is 5-(5-chloropyrimidin-2-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name5-(5-chloropyrimidin-2-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole
PubChem CID56706594
Molecular FormulaC16H13ClFN5
Molecular Weight329.77 g/mol
Exact Mass329.08
IUPAC Name5-(5-chloropyrimidin-2-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole
SMILESFc1ccc(Cn2ncc3c2CN(c2ncc(Cl)cn2)C3)cc1
InChIInChI=1S/C16H13ClFN5/c17-13-6-19-16(20-7-13)22-9-12-5-21-23(15(12)10-22)8-11-1-3-14(18)4-2-11/h1-7H,8-10H2
InChIKeyCSWQTFQKEGPJBL-UHFFFAOYSA-N
XLogP3.03
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.77
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 56705580
5-(5-ethyl-2-methylpyrimidin-4-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole
CID 56703339
2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]quinoline-4-carboxylic acid
CID 56745510
(2S)-1-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-2-phenylbutan-1-one
CID 95198038
N-[3-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl]phenyl]acetamide
CID 56738858
[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(4-propan-2-yloxyphenyl)methanone
CID 56759466
5-chloro-1-[(4-fluorophenyl)methyl]pyrazol-4-ol
CID 117232697
(3-fluoro-2-methoxyphenyl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone
CID 56746814
1-[(4-fluorophenyl)methyl]-N-(1-propan-2-yltriazol-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 74249707
1-[(4-fluorophenyl)methyl]-6,6-dimethyl-5,7-dihydroindazol-4-one
CID 65356803
4-chloro-1-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidine
CID 55172408
[5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methanol
CID 115069654

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloropyrimidin-2-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole?
The IUPAC name of 5-(5-chloropyrimidin-2-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole (CID 56706594) is 5-(5-chloropyrimidin-2-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 5-(5-chloropyrimidin-2-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole?
The canonical SMILES for 5-(5-chloropyrimidin-2-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole is Fc1ccc(Cn2ncc3c2CN(c2ncc(Cl)cn2)C3)cc1.
What is the InChIKey of 5-(5-chloropyrimidin-2-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole?
The InChIKey is CSWQTFQKEGPJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN5/c17-13-6-19-16(20-7-13)22-9-12-5-21-23(15(12)10-22)8-11-1-3-14(18)4-2-11/h1-7H,8-10H2.
What are the key properties of 5-(5-chloropyrimidin-2-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole?
5-(5-chloropyrimidin-2-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole has a molecular weight of 329.77 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloropyrimidin-2-yl)-1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 56706594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).