(1-ethylpyrazol-3-yl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone

C16H18FN3O — CID 50747034

IUPAC(1-ethylpyrazol-3-yl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCCC2c2ccc(F)cc2)n1
InChIInChI=1S/C16H18FN3O/c1-2-19-11-9-14(18-19)16(21)20-10-3-4-15(20)12-5-7-13(17)8-6-12/h5-9,11,15H,2-4,10H2,1H3
InChIKeyMFDRBGHLDDLRQN-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.02
Rot. Bonds3

About (1-ethylpyrazol-3-yl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone

(1-ethylpyrazol-3-yl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone (PubChem CID 50747034) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is (1-ethylpyrazol-3-yl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-3-yl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
PubChem CID50747034
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name(1-ethylpyrazol-3-yl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCCC2c2ccc(F)cc2)n1
InChIInChI=1S/C16H18FN3O/c1-2-19-11-9-14(18-19)16(21)20-10-3-4-15(20)12-5-7-13(17)8-6-12/h5-9,11,15H,2-4,10H2,1H3
InChIKeyMFDRBGHLDDLRQN-UHFFFAOYSA-N
XLogP3.02
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2,3-dihydro-1H-inden-5-yl)-1-ethylpyrazole-3-carboxamide
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N-[(E)-1-[4-[(3-fluorobenzoyl)amino]phenyl]ethylideneamino]-1-methylpyrazole-3-carboxamide
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Ab-chfupyca
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[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-N,N-diethylcarboxamide
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[4-(2-Fluorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6467697
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CID 6468083
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1-[(1-methyl-1H-pyrazol-5-yl)carbonyl]indoline
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Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-3-yl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-ethylpyrazol-3-yl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone (CID 50747034) is (1-ethylpyrazol-3-yl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-3-yl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-3-yl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone is CCn1ccc(C(=O)N2CCCC2c2ccc(F)cc2)n1.
What is the InChIKey of (1-ethylpyrazol-3-yl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone?
The InChIKey is MFDRBGHLDDLRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-2-19-11-9-14(18-19)16(21)20-10-3-4-15(20)12-5-7-13(17)8-6-12/h5-9,11,15H,2-4,10H2,1H3.
What are the key properties of (1-ethylpyrazol-3-yl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone?
(1-ethylpyrazol-3-yl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone has a molecular weight of 287.34 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-3-yl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 50747034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).