3-chloro-5-(4-propylphenyl)-2,6-dihydropyrrolo[2,3-c]pyrazole

C14H14ClN3 — CID 139551185

IUPAC3-chloro-5-(4-propylphenyl)-2,6-dihydropyrrolo[2,3-c]pyrazole
SMILESCCCc1ccc(-c2cc3c(Cl)[nH]nc3[nH]2)cc1
InChIInChI=1S/C14H14ClN3/c1-2-3-9-4-6-10(7-5-9)12-8-11-13(15)17-18-14(11)16-12/h4-8H,2-3H2,1H3,(H2,16,17,18)
InChIKeyRSEPRKZCCLCHFO-UHFFFAOYSA-N
MW259.74 g/mol
LogP4.16
Rot. Bonds3

About 3-chloro-5-(4-propylphenyl)-2,6-dihydropyrrolo[2,3-c]pyrazole

3-chloro-5-(4-propylphenyl)-2,6-dihydropyrrolo[2,3-c]pyrazole (PubChem CID 139551185) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is 3-chloro-5-(4-propylphenyl)-2,6-dihydropyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name3-chloro-5-(4-propylphenyl)-2,6-dihydropyrrolo[2,3-c]pyrazole
PubChem CID139551185
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC Name3-chloro-5-(4-propylphenyl)-2,6-dihydropyrrolo[2,3-c]pyrazole
SMILESCCCc1ccc(-c2cc3c(Cl)[nH]nc3[nH]2)cc1
InChIInChI=1S/C14H14ClN3/c1-2-3-9-4-6-10(7-5-9)12-8-11-13(15)17-18-14(11)16-12/h4-8H,2-3H2,1H3,(H2,16,17,18)
InChIKeyRSEPRKZCCLCHFO-UHFFFAOYSA-N
XLogP4.16
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(4-propylphenyl)-2,6-dihydropyrrolo[2,3-c]pyrazole?
The IUPAC name of 3-chloro-5-(4-propylphenyl)-2,6-dihydropyrrolo[2,3-c]pyrazole (CID 139551185) is 3-chloro-5-(4-propylphenyl)-2,6-dihydropyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 3-chloro-5-(4-propylphenyl)-2,6-dihydropyrrolo[2,3-c]pyrazole?
The canonical SMILES for 3-chloro-5-(4-propylphenyl)-2,6-dihydropyrrolo[2,3-c]pyrazole is CCCc1ccc(-c2cc3c(Cl)[nH]nc3[nH]2)cc1.
What is the InChIKey of 3-chloro-5-(4-propylphenyl)-2,6-dihydropyrrolo[2,3-c]pyrazole?
The InChIKey is RSEPRKZCCLCHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3/c1-2-3-9-4-6-10(7-5-9)12-8-11-13(15)17-18-14(11)16-12/h4-8H,2-3H2,1H3,(H2,16,17,18).
What are the key properties of 3-chloro-5-(4-propylphenyl)-2,6-dihydropyrrolo[2,3-c]pyrazole?
3-chloro-5-(4-propylphenyl)-2,6-dihydropyrrolo[2,3-c]pyrazole has a molecular weight of 259.74 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(4-propylphenyl)-2,6-dihydropyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 139551185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).