N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-5-methylpyrazolidine-3-carboxamide

C15H22FN3O3 — CID 134068445

IUPACN-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-5-methylpyrazolidine-3-carboxamide
SMILESCOc1cc(F)c(C(C)NC(=O)C2CC(C)NN2)cc1OC
InChIInChI=1S/C15H22FN3O3/c1-8-5-12(19-18-8)15(20)17-9(2)10-6-13(21-3)14(22-4)7-11(10)16/h6-9,12,18-19H,5H2,1-4H3,(H,17,20)
InChIKeySZUGDUVWBLYDKB-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.28
Rot. Bonds5

About N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-5-methylpyrazolidine-3-carboxamide

N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-5-methylpyrazolidine-3-carboxamide (PubChem CID 134068445) has the molecular formula C15H22FN3O3 and a molecular weight of 311.36 g/mol. Its IUPAC name is N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-5-methylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-5-methylpyrazolidine-3-carboxamide
PubChem CID134068445
Molecular FormulaC15H22FN3O3
Molecular Weight311.36 g/mol
Exact Mass311.16
IUPAC NameN-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-5-methylpyrazolidine-3-carboxamide
SMILESCOc1cc(F)c(C(C)NC(=O)C2CC(C)NN2)cc1OC
InChIInChI=1S/C15H22FN3O3/c1-8-5-12(19-18-8)15(20)17-9(2)10-6-13(21-3)14(22-4)7-11(10)16/h6-9,12,18-19H,5H2,1-4H3,(H,17,20)
InChIKeySZUGDUVWBLYDKB-UHFFFAOYSA-N
XLogP1.28
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]piperidine-2-carboxamide
CID 119324627
N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119785388
3-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 119785349
2,2,3,3-tetrafluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]propanamide
CID 122146702
N-[(1S)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 95967411
1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 119324647
N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119785383
4-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]butanamide
CID 119324659
1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 119324657
methyl N-[1-[1-(2-fluoro-4,5-dimethoxyphenyl)ethylamino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 102557200
methyl N-[1-[[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 99808014
(Z)-N-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-methylpent-2-enamide
CID 95967414

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-5-methylpyrazolidine-3-carboxamide?
The IUPAC name of N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-5-methylpyrazolidine-3-carboxamide (CID 134068445) is N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-5-methylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-5-methylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-5-methylpyrazolidine-3-carboxamide is COc1cc(F)c(C(C)NC(=O)C2CC(C)NN2)cc1OC.
What is the InChIKey of N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-5-methylpyrazolidine-3-carboxamide?
The InChIKey is SZUGDUVWBLYDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O3/c1-8-5-12(19-18-8)15(20)17-9(2)10-6-13(21-3)14(22-4)7-11(10)16/h6-9,12,18-19H,5H2,1-4H3,(H,17,20).
What are the key properties of N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-5-methylpyrazolidine-3-carboxamide?
N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-5-methylpyrazolidine-3-carboxamide has a molecular weight of 311.36 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-5-methylpyrazolidine-3-carboxamide is sourced from PubChem (CID 134068445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).