1-ethyl-4-(3-fluoropyrrolidin-3-yl)pyrazole

C9H14FN3 — CID 112564397

IUPAC1-ethyl-4-(3-fluoropyrrolidin-3-yl)pyrazole
SMILESCCn1cc(C2(F)CCNC2)cn1
InChIInChI=1S/C9H14FN3/c1-2-13-6-8(5-12-13)9(10)3-4-11-7-9/h5-6,11H,2-4,7H2,1H3
InChIKeyQTYNNMJNZFZGRG-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.06
Rot. Bonds2

About 1-ethyl-4-(3-fluoropyrrolidin-3-yl)pyrazole

1-ethyl-4-(3-fluoropyrrolidin-3-yl)pyrazole (PubChem CID 112564397) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is 1-ethyl-4-(3-fluoropyrrolidin-3-yl)pyrazole.

Molecular Properties

Compound Name1-ethyl-4-(3-fluoropyrrolidin-3-yl)pyrazole
PubChem CID112564397
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC Name1-ethyl-4-(3-fluoropyrrolidin-3-yl)pyrazole
SMILESCCn1cc(C2(F)CCNC2)cn1
InChIInChI=1S/C9H14FN3/c1-2-13-6-8(5-12-13)9(10)3-4-11-7-9/h5-6,11H,2-4,7H2,1H3
InChIKeyQTYNNMJNZFZGRG-UHFFFAOYSA-N
XLogP1.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-ethylpyrazol-4-yl)-4-fluoropiperidine
CID 112563242
(3S)-3-(4-ethylphenyl)-3-fluoropyrrolidine
CID 124547145
(3R)-3-(4-ethylphenyl)-3-fluoropyrrolidine
CID 124547144
2-(1-ethylpyrazol-4-yl)-2-propan-2-ylazepane
CID 79117229
(3R)-3-(1-ethylpyrazol-4-yl)-2,7-diazaspiro[3.5]nonane
CID 125458334
2-[(1-ethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120907844
5-(3-fluoropyrrolidin-3-yl)-1-methyltriazole
CID 114691723
3-(3,4-diethoxyphenyl)-3-fluoropyrrolidine
CID 112564446
4-[(1-ethylpyrazol-4-yl)oxymethyl]piperidin-4-ol
CID 114608497
4-(1-ethylpyrazol-4-yl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
CID 120899675
1-(1-ethylpyrazol-4-yl)-3,3-dimethylcyclopentan-1-amine
CID 80705361
3-(1-ethylpyrazol-4-yl)-2-azaspiro[3.4]octane
CID 130575204

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3-fluoropyrrolidin-3-yl)pyrazole?
The IUPAC name of 1-ethyl-4-(3-fluoropyrrolidin-3-yl)pyrazole (CID 112564397) is 1-ethyl-4-(3-fluoropyrrolidin-3-yl)pyrazole.
What is the SMILES notation for 1-ethyl-4-(3-fluoropyrrolidin-3-yl)pyrazole?
The canonical SMILES for 1-ethyl-4-(3-fluoropyrrolidin-3-yl)pyrazole is CCn1cc(C2(F)CCNC2)cn1.
What is the InChIKey of 1-ethyl-4-(3-fluoropyrrolidin-3-yl)pyrazole?
The InChIKey is QTYNNMJNZFZGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3/c1-2-13-6-8(5-12-13)9(10)3-4-11-7-9/h5-6,11H,2-4,7H2,1H3.
What are the key properties of 1-ethyl-4-(3-fluoropyrrolidin-3-yl)pyrazole?
1-ethyl-4-(3-fluoropyrrolidin-3-yl)pyrazole has a molecular weight of 183.23 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3-fluoropyrrolidin-3-yl)pyrazole is sourced from PubChem (CID 112564397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).