1-methyl-N-[5-[(2R)-oxolan-2-yl]-1H-pyrazol-3-yl]-3-(trifluoromethoxymethyl)pyrazole-5-carboxamide

C14H16F3N5O3 — CID 164879726

IUPAC1-methyl-N-[5-[(2R)-oxolan-2-yl]-1H-pyrazol-3-yl]-3-(trifluoromethoxymethyl)pyrazole-5-carboxamide
SMILESCn1nc(COC(F)(F)F)cc1C(=O)Nc1cc([C@H]2CCCO2)[nH]n1
InChIInChI=1S/C14H16F3N5O3/c1-22-10(5-8(21-22)7-25-14(15,16)17)13(23)18-12-6-9(19-20-12)11-3-2-4-24-11/h5-6,11H,2-4,7H2,1H3,(H2,18,19,20,23)/t11-/m1/s1
InChIKeyFTYJTHPJXPQFQP-LLVKDONJSA-N
MW359.31 g/mol
LogP2.28
Rot. Bonds5

About 1-methyl-N-[5-[(2R)-oxolan-2-yl]-1H-pyrazol-3-yl]-3-(trifluoromethoxymethyl)pyrazole-5-carboxamide

1-methyl-N-[5-[(2R)-oxolan-2-yl]-1H-pyrazol-3-yl]-3-(trifluoromethoxymethyl)pyrazole-5-carboxamide (PubChem CID 164879726) has the molecular formula C14H16F3N5O3 and a molecular weight of 359.31 g/mol. Its IUPAC name is 1-methyl-N-[5-[(2R)-oxolan-2-yl]-1H-pyrazol-3-yl]-3-(trifluoromethoxymethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[5-[(2R)-oxolan-2-yl]-1H-pyrazol-3-yl]-3-(trifluoromethoxymethyl)pyrazole-5-carboxamide
PubChem CID164879726
Molecular FormulaC14H16F3N5O3
Molecular Weight359.31 g/mol
Exact Mass359.12
IUPAC Name1-methyl-N-[5-[(2R)-oxolan-2-yl]-1H-pyrazol-3-yl]-3-(trifluoromethoxymethyl)pyrazole-5-carboxamide
SMILESCn1nc(COC(F)(F)F)cc1C(=O)Nc1cc([C@H]2CCCO2)[nH]n1
InChIInChI=1S/C14H16F3N5O3/c1-22-10(5-8(21-22)7-25-14(15,16)17)13(23)18-12-6-9(19-20-12)11-3-2-4-24-11/h5-6,11H,2-4,7H2,1H3,(H2,18,19,20,23)/t11-/m1/s1
InChIKeyFTYJTHPJXPQFQP-LLVKDONJSA-N
XLogP2.28
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[5-[(2R)-oxolan-2-yl]-1H-pyrazol-3-yl]-3-(trifluoromethoxymethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[5-[(2R)-oxolan-2-yl]-1H-pyrazol-3-yl]-3-(trifluoromethoxymethyl)pyrazole-5-carboxamide (CID 164879726) is 1-methyl-N-[5-[(2R)-oxolan-2-yl]-1H-pyrazol-3-yl]-3-(trifluoromethoxymethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[5-[(2R)-oxolan-2-yl]-1H-pyrazol-3-yl]-3-(trifluoromethoxymethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[5-[(2R)-oxolan-2-yl]-1H-pyrazol-3-yl]-3-(trifluoromethoxymethyl)pyrazole-5-carboxamide is Cn1nc(COC(F)(F)F)cc1C(=O)Nc1cc([C@H]2CCCO2)[nH]n1.
What is the InChIKey of 1-methyl-N-[5-[(2R)-oxolan-2-yl]-1H-pyrazol-3-yl]-3-(trifluoromethoxymethyl)pyrazole-5-carboxamide?
The InChIKey is FTYJTHPJXPQFQP-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16F3N5O3/c1-22-10(5-8(21-22)7-25-14(15,16)17)13(23)18-12-6-9(19-20-12)11-3-2-4-24-11/h5-6,11H,2-4,7H2,1H3,(H2,18,19,20,23)/t11-/m1/s1.
What are the key properties of 1-methyl-N-[5-[(2R)-oxolan-2-yl]-1H-pyrazol-3-yl]-3-(trifluoromethoxymethyl)pyrazole-5-carboxamide?
1-methyl-N-[5-[(2R)-oxolan-2-yl]-1H-pyrazol-3-yl]-3-(trifluoromethoxymethyl)pyrazole-5-carboxamide has a molecular weight of 359.31 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[5-[(2R)-oxolan-2-yl]-1H-pyrazol-3-yl]-3-(trifluoromethoxymethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 164879726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).