N-[2-(3,5-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide

C13H13F2N3O — CID 110471449

IUPACN-[2-(3,5-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCCc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C13H13F2N3O/c1-18-8-10(7-17-18)13(19)16-3-2-9-4-11(14)6-12(15)5-9/h4-8H,2-3H2,1H3,(H,16,19)
InChIKeyMHYCQXGEBUYQID-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.67
Rot. Bonds4

About N-[2-(3,5-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide

N-[2-(3,5-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide (PubChem CID 110471449) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide
PubChem CID110471449
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCCc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C13H13F2N3O/c1-18-8-10(7-17-18)13(19)16-3-2-9-4-11(14)6-12(15)5-9/h4-8H,2-3H2,1H3,(H,16,19)
InChIKeyMHYCQXGEBUYQID-UHFFFAOYSA-N
XLogP1.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-1-methylpyrazole-4-carboxamide
CID 19474676
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 9269519
4-[(3,5-difluorophenyl)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide
CID 119065539
N-(5-bromopentyl)-1-methylpyrazole-4-carboxamide
CID 107321851
N-[2-(cyclopropanecarbonylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 31364847
1-methyl-N-[(E)-pent-3-enyl]pyrazole-4-carboxamide
CID 115628402
N-[2-(3,5-difluorophenyl)ethyl]-3-sulfanylbenzamide
CID 107028509
5,6-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 78968072
4-amino-N-[2-(3,5-difluorophenyl)ethyl]-1-ethylpyrazole-5-carboxamide
CID 65358766
4-hydroxy-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 103951812
3-chloro-4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 47291440

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide (CID 110471449) is N-[2-(3,5-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NCCc2cc(F)cc(F)c2)cn1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is MHYCQXGEBUYQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c1-18-8-10(7-17-18)13(19)16-3-2-9-4-11(14)6-12(15)5-9/h4-8H,2-3H2,1H3,(H,16,19).
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide?
N-[2-(3,5-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 265.26 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 110471449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).