[[3-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-yl]-phenylmethyl] carbamate

C17H19F2N3O3 — CID 150188718

IUPAC[[3-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-yl]-phenylmethyl] carbamate
SMILESNC(=O)OC(c1ccccc1)c1cn(C2CCCCO2)nc1C(F)F
InChIInChI=1S/C17H19F2N3O3/c18-16(19)14-12(10-22(21-14)13-8-4-5-9-24-13)15(25-17(20)23)11-6-2-1-3-7-11/h1-3,6-7,10,13,15-16H,4-5,8-9H2,(H2,20,23)
InChIKeyFMZHABFSNLFDSI-UHFFFAOYSA-N
MW351.35 g/mol
LogP3.70
Rot. Bonds5

About [[3-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-yl]-phenylmethyl] carbamate

[[3-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-yl]-phenylmethyl] carbamate (PubChem CID 150188718) has the molecular formula C17H19F2N3O3 and a molecular weight of 351.35 g/mol. Its IUPAC name is [[3-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-yl]-phenylmethyl] carbamate.

Molecular Properties

Compound Name[[3-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-yl]-phenylmethyl] carbamate
PubChem CID150188718
Molecular FormulaC17H19F2N3O3
Molecular Weight351.35 g/mol
Exact Mass351.14
IUPAC Name[[3-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-yl]-phenylmethyl] carbamate
SMILESNC(=O)OC(c1ccccc1)c1cn(C2CCCCO2)nc1C(F)F
InChIInChI=1S/C17H19F2N3O3/c18-16(19)14-12(10-22(21-14)13-8-4-5-9-24-13)15(25-17(20)23)11-6-2-1-3-7-11/h1-3,6-7,10,13,15-16H,4-5,8-9H2,(H2,20,23)
InChIKeyFMZHABFSNLFDSI-UHFFFAOYSA-N
XLogP3.70
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-[(2S)-oxan-2-yl]pyrazole-4-carboxylic acid
CID 129390500
1-(oxan-2-yl)pyrazole-4-carboxylic acid;hydrofluoride
CID 89454227
[[2-(1-benzylpiperidin-4-yl)phenyl]-phenylmethyl] carbamate
CID 69028746
methyl 2-[5-amino-2-(oxan-2-yl)indazol-4-yl]acetate
CID 23134409
2-(difluoromethyl)-4-(3-methoxy-4-pyridinyl)-6-[1-(oxan-2-yl)pyrazol-3-yl]pyridine-3-carboxamide
CID 177235333
[(5-bromo-3-pyridinyl)-phenylmethyl] carbamate
CID 151204108
3-[(S)-[(2R)-oxan-2-yl]oxy-phenylmethyl]-1,2-oxazole-4-carboxylic acid
CID 125377285
3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine-2-carboxamide
CID 142796783
ethyl 1-(oxan-2-yl)-4-(trifluoromethyl)pyrazole-3-carboxylate
CID 156901509
[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl carbamate
CID 175453155
[1-[1-(benzhydrylideneamino)-2-[1-(oxan-2-yl)indazol-5-yl]ethyl]cyclopropyl] carbamate
CID 175203924
2-[1-(oxan-2-yl)pyrazol-4-yl]cyclopropane-1-carboxamide
CID 174999751

Frequently Asked Questions

What is the IUPAC name of [[3-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-yl]-phenylmethyl] carbamate?
The IUPAC name of [[3-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-yl]-phenylmethyl] carbamate (CID 150188718) is [[3-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-yl]-phenylmethyl] carbamate.
What is the SMILES notation for [[3-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-yl]-phenylmethyl] carbamate?
The canonical SMILES for [[3-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-yl]-phenylmethyl] carbamate is NC(=O)OC(c1ccccc1)c1cn(C2CCCCO2)nc1C(F)F.
What is the InChIKey of [[3-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-yl]-phenylmethyl] carbamate?
The InChIKey is FMZHABFSNLFDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O3/c18-16(19)14-12(10-22(21-14)13-8-4-5-9-24-13)15(25-17(20)23)11-6-2-1-3-7-11/h1-3,6-7,10,13,15-16H,4-5,8-9H2,(H2,20,23).
What are the key properties of [[3-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-yl]-phenylmethyl] carbamate?
[[3-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-yl]-phenylmethyl] carbamate has a molecular weight of 351.35 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-yl]-phenylmethyl] carbamate is sourced from PubChem (CID 150188718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).