N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide

C17H19F4N3O2 — CID 4867323

IUPACN-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
SMILESCN(Cc1ccnn1C)C(=O)c1cccc(COCC(F)(F)C(F)F)c1
InChIInChI=1S/C17H19F4N3O2/c1-23(9-14-6-7-22-24(14)2)15(25)13-5-3-4-12(8-13)10-26-11-17(20,21)16(18)19/h3-8,16H,9-11H2,1-2H3
InChIKeyOFUKFKFYNHKQLC-UHFFFAOYSA-N
MW373.35 g/mol
LogP3.11
Rot. Bonds8

About N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide

N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide (PubChem CID 4867323) has the molecular formula C17H19F4N3O2 and a molecular weight of 373.35 g/mol. Its IUPAC name is N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
PubChem CID4867323
Molecular FormulaC17H19F4N3O2
Molecular Weight373.35 g/mol
Exact Mass373.14
IUPAC NameN-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
SMILESCN(Cc1ccnn1C)C(=O)c1cccc(COCC(F)(F)C(F)F)c1
InChIInChI=1S/C17H19F4N3O2/c1-23(9-14-6-7-22-24(14)2)15(25)13-5-3-4-12(8-13)10-26-11-17(20,21)16(18)19/h3-8,16H,9-11H2,1-2H3
InChIKeyOFUKFKFYNHKQLC-UHFFFAOYSA-N
XLogP3.11
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.35
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-{[3-(3-methyl-1H-pyrazol-1-yl)propanoyl]amino}benzoate
CID 16026493
1-methyl-N-(2-methylpropyl)-4-[({4-[(2,2,3,3-tetrafluoropropoxy)methyl]phenyl}carbonyl)amino]-1H-pyrazole-5-carboxamide
CID 17024077
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(methoxymethyl)benzamide
CID 30954909
(4-{2-[(3-Fluorobenzyl)oxy]ethyl}piperidino)(1-methyl-1H-pyrazol-5-YL)methanone
CID 53150656
(1-ethyl-1H-pyrazol-5-yl)(4-{2-[(3-fluorobenzyl)oxy]ethyl}piperidino)methanone
CID 53150657
(1-Ethyl-1H-pyrazol-3-YL)(4-{2-[(3-fluorobenzyl)oxy]ethyl}piperidino)methanone
CID 53150658
1,3-Dihydro-2-benzofuran-5-yl-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 53625262
1,3-Dihydro-2-benzofuran-5-yl-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 56779590
methyl 4-({2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}carbamoyl)benzoate
CID 71808021
N-({1-methyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}methyl)-3-(trifluoromethyl)benzamide
CID 71808490
Methyl 3-[[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]methyl]benzoate
CID 71920649
1,3-Dihydro-2-benzofuran-5-yl-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 72044271

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide?
The IUPAC name of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide (CID 4867323) is N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide.
What is the SMILES notation for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide?
The canonical SMILES for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide is CN(Cc1ccnn1C)C(=O)c1cccc(COCC(F)(F)C(F)F)c1.
What is the InChIKey of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide?
The InChIKey is OFUKFKFYNHKQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F4N3O2/c1-23(9-14-6-7-22-24(14)2)15(25)13-5-3-4-12(8-13)10-26-11-17(20,21)16(18)19/h3-8,16H,9-11H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide?
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide has a molecular weight of 373.35 g/mol, XLogP of 3.11, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-(2,2,3,3-tetrafluoropropoxymethyl)benzamide is sourced from PubChem (CID 4867323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).