[4-[5-(difluoromethoxy)pyrimidin-2-yl]-1-methylpyrazol-5-yl] carbamate

C10H9F2N5O3 — CID 175520164

IUPAC[4-[5-(difluoromethoxy)pyrimidin-2-yl]-1-methylpyrazol-5-yl] carbamate
SMILESCn1ncc(-c2ncc(OC(F)F)cn2)c1OC(N)=O
InChIInChI=1S/C10H9F2N5O3/c1-17-8(20-10(13)18)6(4-16-17)7-14-2-5(3-15-7)19-9(11)12/h2-4,9H,1H3,(H2,13,18)
InChIKeySGOYNIASSKBKMY-UHFFFAOYSA-N
MW285.21 g/mol
LogP0.94
Rot. Bonds4

About [4-[5-(difluoromethoxy)pyrimidin-2-yl]-1-methylpyrazol-5-yl] carbamate

[4-[5-(difluoromethoxy)pyrimidin-2-yl]-1-methylpyrazol-5-yl] carbamate (PubChem CID 175520164) has the molecular formula C10H9F2N5O3 and a molecular weight of 285.21 g/mol. Its IUPAC name is [4-[5-(difluoromethoxy)pyrimidin-2-yl]-1-methylpyrazol-5-yl] carbamate.

Molecular Properties

Compound Name[4-[5-(difluoromethoxy)pyrimidin-2-yl]-1-methylpyrazol-5-yl] carbamate
PubChem CID175520164
Molecular FormulaC10H9F2N5O3
Molecular Weight285.21 g/mol
Exact Mass285.07
IUPAC Name[4-[5-(difluoromethoxy)pyrimidin-2-yl]-1-methylpyrazol-5-yl] carbamate
SMILESCn1ncc(-c2ncc(OC(F)F)cn2)c1OC(N)=O
InChIInChI=1S/C10H9F2N5O3/c1-17-8(20-10(13)18)6(4-16-17)7-14-2-5(3-15-7)19-9(11)12/h2-4,9H,1H3,(H2,13,18)
InChIKeySGOYNIASSKBKMY-UHFFFAOYSA-N
XLogP0.94
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(difluoromethoxy)pyrimidin-2-yl]-1-methylpyrazol-5-yl] carbamate?
The IUPAC name of [4-[5-(difluoromethoxy)pyrimidin-2-yl]-1-methylpyrazol-5-yl] carbamate (CID 175520164) is [4-[5-(difluoromethoxy)pyrimidin-2-yl]-1-methylpyrazol-5-yl] carbamate.
What is the SMILES notation for [4-[5-(difluoromethoxy)pyrimidin-2-yl]-1-methylpyrazol-5-yl] carbamate?
The canonical SMILES for [4-[5-(difluoromethoxy)pyrimidin-2-yl]-1-methylpyrazol-5-yl] carbamate is Cn1ncc(-c2ncc(OC(F)F)cn2)c1OC(N)=O.
What is the InChIKey of [4-[5-(difluoromethoxy)pyrimidin-2-yl]-1-methylpyrazol-5-yl] carbamate?
The InChIKey is SGOYNIASSKBKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N5O3/c1-17-8(20-10(13)18)6(4-16-17)7-14-2-5(3-15-7)19-9(11)12/h2-4,9H,1H3,(H2,13,18).
What are the key properties of [4-[5-(difluoromethoxy)pyrimidin-2-yl]-1-methylpyrazol-5-yl] carbamate?
[4-[5-(difluoromethoxy)pyrimidin-2-yl]-1-methylpyrazol-5-yl] carbamate has a molecular weight of 285.21 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(difluoromethoxy)pyrimidin-2-yl]-1-methylpyrazol-5-yl] carbamate is sourced from PubChem (CID 175520164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).