3-[(2-chlorophenyl)methyl]-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

C14H16ClN3 — CID 4003333

IUPAC3-[(2-chlorophenyl)methyl]-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCCn1nc(Cc2ccccc2Cl)c2c1NCC2
InChIInChI=1S/C14H16ClN3/c1-2-18-14-11(7-8-16-14)13(17-18)9-10-5-3-4-6-12(10)15/h3-6,16H,2,7-9H2,1H3
InChIKeySIVONIVLFXPYIN-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.12
Rot. Bonds3

About 3-[(2-chlorophenyl)methyl]-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

3-[(2-chlorophenyl)methyl]-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (PubChem CID 4003333) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
PubChem CID4003333
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name3-[(2-chlorophenyl)methyl]-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCCn1nc(Cc2ccccc2Cl)c2c1NCC2
InChIInChI=1S/C14H16ClN3/c1-2-18-14-11(7-8-16-14)13(17-18)9-10-5-3-4-6-12(10)15/h3-6,16H,2,7-9H2,1H3
InChIKeySIVONIVLFXPYIN-UHFFFAOYSA-N
XLogP3.12
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (CID 4003333) is 3-[(2-chlorophenyl)methyl]-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is CCn1nc(Cc2ccccc2Cl)c2c1NCC2.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The InChIKey is SIVONIVLFXPYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-2-18-14-11(7-8-16-14)13(17-18)9-10-5-3-4-6-12(10)15/h3-6,16H,2,7-9H2,1H3.
What are the key properties of 3-[(2-chlorophenyl)methyl]-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
3-[(2-chlorophenyl)methyl]-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole has a molecular weight of 261.76 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-1-ethyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 4003333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).