4-(4-ethylpyrazol-1-yl)-1-[(1-fluorocyclopropyl)methyl]piperidine

C14H22FN3 — CID 167187538

IUPAC4-(4-ethylpyrazol-1-yl)-1-[(1-fluorocyclopropyl)methyl]piperidine
SMILESCCc1cnn(C2CCN(CC3(F)CC3)CC2)c1
InChIInChI=1S/C14H22FN3/c1-2-12-9-16-18(10-12)13-3-7-17(8-4-13)11-14(15)5-6-14/h9-10,13H,2-8,11H2,1H3
InChIKeyMVDBQAFKTQJPHA-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.58
Rot. Bonds4

About 4-(4-ethylpyrazol-1-yl)-1-[(1-fluorocyclopropyl)methyl]piperidine

4-(4-ethylpyrazol-1-yl)-1-[(1-fluorocyclopropyl)methyl]piperidine (PubChem CID 167187538) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is 4-(4-ethylpyrazol-1-yl)-1-[(1-fluorocyclopropyl)methyl]piperidine.

Molecular Properties

Compound Name4-(4-ethylpyrazol-1-yl)-1-[(1-fluorocyclopropyl)methyl]piperidine
PubChem CID167187538
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name4-(4-ethylpyrazol-1-yl)-1-[(1-fluorocyclopropyl)methyl]piperidine
SMILESCCc1cnn(C2CCN(CC3(F)CC3)CC2)c1
InChIInChI=1S/C14H22FN3/c1-2-12-9-16-18(10-12)13-3-7-17(8-4-13)11-14(15)5-6-14/h9-10,13H,2-8,11H2,1H3
InChIKeyMVDBQAFKTQJPHA-UHFFFAOYSA-N
XLogP2.58
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpyrazol-1-yl)-1-[(1-fluorocyclopropyl)methyl]piperidine?
The IUPAC name of 4-(4-ethylpyrazol-1-yl)-1-[(1-fluorocyclopropyl)methyl]piperidine (CID 167187538) is 4-(4-ethylpyrazol-1-yl)-1-[(1-fluorocyclopropyl)methyl]piperidine.
What is the SMILES notation for 4-(4-ethylpyrazol-1-yl)-1-[(1-fluorocyclopropyl)methyl]piperidine?
The canonical SMILES for 4-(4-ethylpyrazol-1-yl)-1-[(1-fluorocyclopropyl)methyl]piperidine is CCc1cnn(C2CCN(CC3(F)CC3)CC2)c1.
What is the InChIKey of 4-(4-ethylpyrazol-1-yl)-1-[(1-fluorocyclopropyl)methyl]piperidine?
The InChIKey is MVDBQAFKTQJPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-2-12-9-16-18(10-12)13-3-7-17(8-4-13)11-14(15)5-6-14/h9-10,13H,2-8,11H2,1H3.
What are the key properties of 4-(4-ethylpyrazol-1-yl)-1-[(1-fluorocyclopropyl)methyl]piperidine?
4-(4-ethylpyrazol-1-yl)-1-[(1-fluorocyclopropyl)methyl]piperidine has a molecular weight of 251.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpyrazol-1-yl)-1-[(1-fluorocyclopropyl)methyl]piperidine is sourced from PubChem (CID 167187538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).