3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-fluoropiperidine

C11H17ClFN3 — CID 112563020

IUPAC3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-fluoropiperidine
SMILESCc1nn(C)c(CC2(F)CCCNC2)c1Cl
InChIInChI=1S/C11H17ClFN3/c1-8-10(12)9(16(2)15-8)6-11(13)4-3-5-14-7-11/h14H,3-7H2,1-2H3
InChIKeyFQDHQTVDRFRPQR-UHFFFAOYSA-N
MW245.73 g/mol
LogP2.02
Rot. Bonds2

About 3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-fluoropiperidine

3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-fluoropiperidine (PubChem CID 112563020) has the molecular formula C11H17ClFN3 and a molecular weight of 245.73 g/mol. Its IUPAC name is 3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-fluoropiperidine.

Molecular Properties

Compound Name3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-fluoropiperidine
PubChem CID112563020
Molecular FormulaC11H17ClFN3
Molecular Weight245.73 g/mol
Exact Mass245.11
IUPAC Name3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-fluoropiperidine
SMILESCc1nn(C)c(CC2(F)CCCNC2)c1Cl
InChIInChI=1S/C11H17ClFN3/c1-8-10(12)9(16(2)15-8)6-11(13)4-3-5-14-7-11/h14H,3-7H2,1-2H3
InChIKeyFQDHQTVDRFRPQR-UHFFFAOYSA-N
XLogP2.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-fluoropiperidine?
The IUPAC name of 3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-fluoropiperidine (CID 112563020) is 3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-fluoropiperidine.
What is the SMILES notation for 3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-fluoropiperidine?
The canonical SMILES for 3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-fluoropiperidine is Cc1nn(C)c(CC2(F)CCCNC2)c1Cl.
What is the InChIKey of 3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-fluoropiperidine?
The InChIKey is FQDHQTVDRFRPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClFN3/c1-8-10(12)9(16(2)15-8)6-11(13)4-3-5-14-7-11/h14H,3-7H2,1-2H3.
What are the key properties of 3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-fluoropiperidine?
3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-fluoropiperidine has a molecular weight of 245.73 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-fluoropiperidine is sourced from PubChem (CID 112563020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).