1-(4-chloro-2-methylphenyl)-3-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

C15H18ClN3 — CID 3912862

IUPAC1-(4-chloro-2-methylphenyl)-3-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCCCc1nn(-c2ccc(Cl)cc2C)c2c1CCN2
InChIInChI=1S/C15H18ClN3/c1-3-4-13-12-7-8-17-15(12)19(18-13)14-6-5-11(16)9-10(14)2/h5-6,9,17H,3-4,7-8H2,1-2H3
InChIKeyBPWONRBAKPPCCI-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.75
Rot. Bonds3

About 1-(4-chloro-2-methylphenyl)-3-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

1-(4-chloro-2-methylphenyl)-3-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (PubChem CID 3912862) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-3-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-3-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
PubChem CID3912862
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name1-(4-chloro-2-methylphenyl)-3-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCCCc1nn(-c2ccc(Cl)cc2C)c2c1CCN2
InChIInChI=1S/C15H18ClN3/c1-3-4-13-12-7-8-17-15(12)19(18-13)14-6-5-11(16)9-10(14)2/h5-6,9,17H,3-4,7-8H2,1-2H3
InChIKeyBPWONRBAKPPCCI-UHFFFAOYSA-N
XLogP3.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-3-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-3-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (CID 3912862) is 1-(4-chloro-2-methylphenyl)-3-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-3-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-3-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is CCCc1nn(-c2ccc(Cl)cc2C)c2c1CCN2.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-3-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The InChIKey is BPWONRBAKPPCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-3-4-13-12-7-8-17-15(12)19(18-13)14-6-5-11(16)9-10(14)2/h5-6,9,17H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(4-chloro-2-methylphenyl)-3-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
1-(4-chloro-2-methylphenyl)-3-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole has a molecular weight of 275.78 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-3-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 3912862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).