N-[2-[3-(3,4-difluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide

C16H18F2N4O — CID 155560003

IUPACN-[2-[3-(3,4-difluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCn1ccc(-c2ccc(F)c(F)c2)n1)N1CCCC1
InChIInChI=1S/C16H18F2N4O/c17-13-4-3-12(11-14(13)18)15-5-9-22(20-15)10-6-19-16(23)21-7-1-2-8-21/h3-5,9,11H,1-2,6-8,10H2,(H,19,23)
InChIKeySLPMNNNYPHZHES-UHFFFAOYSA-N
MW320.34 g/mol
LogP2.63
Rot. Bonds4

About N-[2-[3-(3,4-difluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide

N-[2-[3-(3,4-difluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide (PubChem CID 155560003) has the molecular formula C16H18F2N4O and a molecular weight of 320.34 g/mol. Its IUPAC name is N-[2-[3-(3,4-difluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(3,4-difluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide
PubChem CID155560003
Molecular FormulaC16H18F2N4O
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC NameN-[2-[3-(3,4-difluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCn1ccc(-c2ccc(F)c(F)c2)n1)N1CCCC1
InChIInChI=1S/C16H18F2N4O/c17-13-4-3-12(11-14(13)18)15-5-9-22(20-15)10-6-19-16(23)21-7-1-2-8-21/h3-5,9,11H,1-2,6-8,10H2,(H,19,23)
InChIKeySLPMNNNYPHZHES-UHFFFAOYSA-N
XLogP2.63
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-N'-[4-(trifluoromethyl)phenyl]urea
CID 2807796
1-[[3-Tert-butyl-1-(3,4-difluorophenyl)pyrazol-5-yl]methyl]-3-(1-methylindazol-4-yl)urea
CID 162671174
1-[3,5-di(pyrazol-1-yl)phenyl]-3-[3-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]urea
CID 44455847
1-(2,4-difluorophenyl)-3-[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl]urea
CID 44589665
N-[2-(3-phenylpyrazol-1-yl)propyl]piperidine-1-carboxamide
CID 118514522
N-[1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 118514528
N-[2-(3-phenylpyrazol-1-yl)ethyl]piperidine-1-carboxamide
CID 118524339
US10343992, Example 234
CID 122590732
N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 123583803
6-cyclopropyl-3-(2-oxo-4-phenylimidazolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 151259440
6-cyclopropyl-3-(4-fluorophenyl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 151334752
6-cyclopropyl-3-(2,4-difluorophenyl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 152001053

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3,4-difluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-[3-(3,4-difluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide (CID 155560003) is N-[2-[3-(3,4-difluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-[3-(3,4-difluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-[3-(3,4-difluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide is O=C(NCCn1ccc(-c2ccc(F)c(F)c2)n1)N1CCCC1.
What is the InChIKey of N-[2-[3-(3,4-difluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide?
The InChIKey is SLPMNNNYPHZHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O/c17-13-4-3-12(11-14(13)18)15-5-9-22(20-15)10-6-19-16(23)21-7-1-2-8-21/h3-5,9,11H,1-2,6-8,10H2,(H,19,23).
What are the key properties of N-[2-[3-(3,4-difluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide?
N-[2-[3-(3,4-difluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide has a molecular weight of 320.34 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3,4-difluorophenyl)pyrazol-1-yl]ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 155560003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).