4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylidene]piperidine

C12H18ClN3 — CID 79880289

IUPAC4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylidene]piperidine
SMILESCCn1nc(C)c(Cl)c1C=C1CCNCC1
InChIInChI=1S/C12H18ClN3/c1-3-16-11(12(13)9(2)15-16)8-10-4-6-14-7-5-10/h8,14H,3-7H2,1-2H3
InChIKeyQPCUXDYMLVMGTH-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.63
Rot. Bonds2

About 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylidene]piperidine

4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylidene]piperidine (PubChem CID 79880289) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylidene]piperidine.

Molecular Properties

Compound Name4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylidene]piperidine
PubChem CID79880289
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylidene]piperidine
SMILESCCn1nc(C)c(Cl)c1C=C1CCNCC1
InChIInChI=1S/C12H18ClN3/c1-3-16-11(12(13)9(2)15-16)8-10-4-6-14-7-5-10/h8,14H,3-7H2,1-2H3
InChIKeyQPCUXDYMLVMGTH-UHFFFAOYSA-N
XLogP2.63
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylidene]piperidine?
The IUPAC name of 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylidene]piperidine (CID 79880289) is 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylidene]piperidine.
What is the SMILES notation for 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylidene]piperidine?
The canonical SMILES for 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylidene]piperidine is CCn1nc(C)c(Cl)c1C=C1CCNCC1.
What is the InChIKey of 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylidene]piperidine?
The InChIKey is QPCUXDYMLVMGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-3-16-11(12(13)9(2)15-16)8-10-4-6-14-7-5-10/h8,14H,3-7H2,1-2H3.
What are the key properties of 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylidene]piperidine?
4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylidene]piperidine has a molecular weight of 239.75 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylidene]piperidine is sourced from PubChem (CID 79880289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).