N-[1-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazol-4-yl]formamide

C8H10F3N3O2 — CID 175819606

IUPACN-[1-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazol-4-yl]formamide
SMILESC[C@@H](Oc1nn(C)cc1NC=O)C(F)(F)F
InChIInChI=1S/C8H10F3N3O2/c1-5(8(9,10)11)16-7-6(12-4-15)3-14(2)13-7/h3-5H,1-2H3,(H,12,15)/t5-/m1/s1
InChIKeySNMBFHDXZWPYMM-RXMQYKEDSA-N
MW237.18 g/mol
LogP1.32
Rot. Bonds4

About N-[1-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazol-4-yl]formamide

N-[1-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazol-4-yl]formamide (PubChem CID 175819606) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is N-[1-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazol-4-yl]formamide.

Molecular Properties

Compound NameN-[1-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazol-4-yl]formamide
PubChem CID175819606
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC NameN-[1-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazol-4-yl]formamide
SMILESC[C@@H](Oc1nn(C)cc1NC=O)C(F)(F)F
InChIInChI=1S/C8H10F3N3O2/c1-5(8(9,10)11)16-7-6(12-4-15)3-14(2)13-7/h3-5H,1-2H3,(H,12,15)/t5-/m1/s1
InChIKeySNMBFHDXZWPYMM-RXMQYKEDSA-N
XLogP1.32
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazol-4-yl]formamide?
The IUPAC name of N-[1-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazol-4-yl]formamide (CID 175819606) is N-[1-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazol-4-yl]formamide.
What is the SMILES notation for N-[1-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazol-4-yl]formamide?
The canonical SMILES for N-[1-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazol-4-yl]formamide is C[C@@H](Oc1nn(C)cc1NC=O)C(F)(F)F.
What is the InChIKey of N-[1-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazol-4-yl]formamide?
The InChIKey is SNMBFHDXZWPYMM-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c1-5(8(9,10)11)16-7-6(12-4-15)3-14(2)13-7/h3-5H,1-2H3,(H,12,15)/t5-/m1/s1.
What are the key properties of N-[1-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazol-4-yl]formamide?
N-[1-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazol-4-yl]formamide has a molecular weight of 237.18 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazol-4-yl]formamide is sourced from PubChem (CID 175819606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).