N-[(2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-yl]-2,6-difluoro-3-methylbenzamide

C19H21F2N3O2 — CID 138037139

IUPACN-[(2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-yl]-2,6-difluoro-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)N[C@@H]2CCO[C@H]2c2ccnn2CC2CC2)c1F
InChIInChI=1S/C19H21F2N3O2/c1-11-2-5-13(20)16(17(11)21)19(25)23-14-7-9-26-18(14)15-6-8-22-24(15)10-12-3-4-12/h2,5-6,8,12,14,18H,3-4,7,9-10H2,1H3,(H,23,25)/t14-,18-/m1/s1
InChIKeyGMGBRMIUGQNXEE-RDTXWAMCSA-N
MW361.39 g/mol
LogP3.14
Rot. Bonds5

About N-[(2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-yl]-2,6-difluoro-3-methylbenzamide

N-[(2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-yl]-2,6-difluoro-3-methylbenzamide (PubChem CID 138037139) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is N-[(2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-yl]-2,6-difluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-yl]-2,6-difluoro-3-methylbenzamide
PubChem CID138037139
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC NameN-[(2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-yl]-2,6-difluoro-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)N[C@@H]2CCO[C@H]2c2ccnn2CC2CC2)c1F
InChIInChI=1S/C19H21F2N3O2/c1-11-2-5-13(20)16(17(11)21)19(25)23-14-7-9-26-18(14)15-6-8-22-24(15)10-12-3-4-12/h2,5-6,8,12,14,18H,3-4,7,9-10H2,1H3,(H,23,25)/t14-,18-/m1/s1
InChIKeyGMGBRMIUGQNXEE-RDTXWAMCSA-N
XLogP3.14
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(methoxymethyl)benzamide
CID 30954909
(2S,3S)-N-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-methyloxolane-3-carboxamide
CID 128966151
N-[1-(1-ethyl-3-methyl-1H-pyrazol-4-yl)ethyl]-4-[(2,2,2-trifluoroethoxy)methyl]benzamide
CID 4764936
N-[(2S*,4R*,6S*)-2-(1-allyl-3-methyl-1H-pyrazol-4-yl)-6-ethyltetrahydro-2H-pyran-4-yl]benzamide
CID 50951035
[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 3-(methylcarbamoyl)benzoate
CID 72115201
(2R,3R)-N-[1-(2,4-difluorophenyl)ethyl]-2-(2-propan-2-ylpyrazol-3-yl)oxane-3-carboxamide
CID 126800314
4-[[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]carbamoyl]benzenesulfonyl fluoride
CID 164629447
4-fluoro-3,5-dimethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]benzamide
CID 164630194
N-[(2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]cyclopent-3-ene-1-carboxamide
CID 164631078
N-{[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl}-3-(1-methyl-1H-pyrazol-5-yl)propanamide
CID 120425581
N-[1-[3-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-1-methoxypropan-2-yl]-2-(trifluoromethyl)benzamide
CID 89914353
methyl 5-[[(2E,4E)-5-(1,1-difluoroethyl)hepta-2,4,6-trien-2-yl]oxymethyl]-N-[1-[3-[2-(4-fluoropiperidin-1-yl)ethylcarbamoyl]phenyl]ethenyl]-1-methylpyrazole-4-carboximidate
CID 144417352

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-yl]-2,6-difluoro-3-methylbenzamide?
The IUPAC name of N-[(2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-yl]-2,6-difluoro-3-methylbenzamide (CID 138037139) is N-[(2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-yl]-2,6-difluoro-3-methylbenzamide.
What is the SMILES notation for N-[(2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-yl]-2,6-difluoro-3-methylbenzamide?
The canonical SMILES for N-[(2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-yl]-2,6-difluoro-3-methylbenzamide is Cc1ccc(F)c(C(=O)N[C@@H]2CCO[C@H]2c2ccnn2CC2CC2)c1F.
What is the InChIKey of N-[(2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-yl]-2,6-difluoro-3-methylbenzamide?
The InChIKey is GMGBRMIUGQNXEE-RDTXWAMCSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c1-11-2-5-13(20)16(17(11)21)19(25)23-14-7-9-26-18(14)15-6-8-22-24(15)10-12-3-4-12/h2,5-6,8,12,14,18H,3-4,7,9-10H2,1H3,(H,23,25)/t14-,18-/m1/s1.
What are the key properties of N-[(2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-yl]-2,6-difluoro-3-methylbenzamide?
N-[(2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-yl]-2,6-difluoro-3-methylbenzamide has a molecular weight of 361.39 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-yl]-2,6-difluoro-3-methylbenzamide is sourced from PubChem (CID 138037139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).