4-[5-(2,3-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]piperidine

C14H17Cl2N3 — CID 11266495

IUPAC4-[5-(2,3-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]piperidine
SMILESClc1cccc(C2CC(C3CCNCC3)=NN2)c1Cl
InChIInChI=1S/C14H17Cl2N3/c15-11-3-1-2-10(14(11)16)13-8-12(18-19-13)9-4-6-17-7-5-9/h1-3,9,13,17,19H,4-8H2
InChIKeySHZSKEHKMFCWNK-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.38
Rot. Bonds2

About 4-[5-(2,3-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]piperidine

4-[5-(2,3-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]piperidine (PubChem CID 11266495) has the molecular formula C14H17Cl2N3 and a molecular weight of 298.22 g/mol. Its IUPAC name is 4-[5-(2,3-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]piperidine.

Molecular Properties

Compound Name4-[5-(2,3-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]piperidine
PubChem CID11266495
Molecular FormulaC14H17Cl2N3
Molecular Weight298.22 g/mol
Exact Mass297.08
IUPAC Name4-[5-(2,3-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]piperidine
SMILESClc1cccc(C2CC(C3CCNCC3)=NN2)c1Cl
InChIInChI=1S/C14H17Cl2N3/c15-11-3-1-2-10(14(11)16)13-8-12(18-19-13)9-4-6-17-7-5-9/h1-3,9,13,17,19H,4-8H2
InChIKeySHZSKEHKMFCWNK-UHFFFAOYSA-N
XLogP3.38
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,3-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]piperidine?
The IUPAC name of 4-[5-(2,3-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]piperidine (CID 11266495) is 4-[5-(2,3-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]piperidine.
What is the SMILES notation for 4-[5-(2,3-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]piperidine?
The canonical SMILES for 4-[5-(2,3-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]piperidine is Clc1cccc(C2CC(C3CCNCC3)=NN2)c1Cl.
What is the InChIKey of 4-[5-(2,3-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]piperidine?
The InChIKey is SHZSKEHKMFCWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3/c15-11-3-1-2-10(14(11)16)13-8-12(18-19-13)9-4-6-17-7-5-9/h1-3,9,13,17,19H,4-8H2.
What are the key properties of 4-[5-(2,3-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]piperidine?
4-[5-(2,3-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]piperidine has a molecular weight of 298.22 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,3-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]piperidine is sourced from PubChem (CID 11266495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).