[6-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridinyl] carbamate

C13H16N4O2 — CID 175000487

IUPAC[6-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridinyl] carbamate
SMILESCC(C)c1nn(C)cc1-c1cccc(OC(N)=O)n1
InChIInChI=1S/C13H16N4O2/c1-8(2)12-9(7-17(3)16-12)10-5-4-6-11(15-10)19-13(14)18/h4-8H,1-3H3,(H2,14,18)
InChIKeyFTOGSOVADSNMFM-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.06
Rot. Bonds3

About [6-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridinyl] carbamate

[6-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridinyl] carbamate (PubChem CID 175000487) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is [6-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridinyl] carbamate.

Molecular Properties

Compound Name[6-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridinyl] carbamate
PubChem CID175000487
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name[6-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridinyl] carbamate
SMILESCC(C)c1nn(C)cc1-c1cccc(OC(N)=O)n1
InChIInChI=1S/C13H16N4O2/c1-8(2)12-9(7-17(3)16-12)10-5-4-6-11(15-10)19-13(14)18/h4-8H,1-3H3,(H2,14,18)
InChIKeyFTOGSOVADSNMFM-UHFFFAOYSA-N
XLogP2.06
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridinyl] carbamate?
The IUPAC name of [6-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridinyl] carbamate (CID 175000487) is [6-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridinyl] carbamate.
What is the SMILES notation for [6-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridinyl] carbamate?
The canonical SMILES for [6-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridinyl] carbamate is CC(C)c1nn(C)cc1-c1cccc(OC(N)=O)n1.
What is the InChIKey of [6-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridinyl] carbamate?
The InChIKey is FTOGSOVADSNMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8(2)12-9(7-17(3)16-12)10-5-4-6-11(15-10)19-13(14)18/h4-8H,1-3H3,(H2,14,18).
What are the key properties of [6-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridinyl] carbamate?
[6-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridinyl] carbamate has a molecular weight of 260.30 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-pyridinyl] carbamate is sourced from PubChem (CID 175000487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).