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

C14H17F2N5O3 — CID 164879752

IUPAC3-(difluoromethoxymethyl)-1-methyl-N-[5-[(2R)-oxolan-2-yl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide
SMILESCn1nc(COC(F)F)cc1C(=O)Nc1cc([C@H]2CCCO2)[nH]n1
InChIInChI=1S/C14H17F2N5O3/c1-21-10(5-8(20-21)7-24-14(15)16)13(22)17-12-6-9(18-19-12)11-3-2-4-23-11/h5-6,11,14H,2-4,7H2,1H3,(H2,17,18,19,22)/t11-/m1/s1
InChIKeyPXVDSRDQAYSKGL-LLVKDONJSA-N
MW341.32 g/mol
LogP1.99
Rot. Bonds6

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

3-(difluoromethoxymethyl)-1-methyl-N-[5-[(2R)-oxolan-2-yl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide (PubChem CID 164879752) has the molecular formula C14H17F2N5O3 and a molecular weight of 341.32 g/mol. Its IUPAC name is 3-(difluoromethoxymethyl)-1-methyl-N-[5-[(2R)-oxolan-2-yl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(difluoromethoxymethyl)-1-methyl-N-[5-[(2R)-oxolan-2-yl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide
PubChem CID164879752
Molecular FormulaC14H17F2N5O3
Molecular Weight341.32 g/mol
Exact Mass341.13
IUPAC Name3-(difluoromethoxymethyl)-1-methyl-N-[5-[(2R)-oxolan-2-yl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide
SMILESCn1nc(COC(F)F)cc1C(=O)Nc1cc([C@H]2CCCO2)[nH]n1
InChIInChI=1S/C14H17F2N5O3/c1-21-10(5-8(20-21)7-24-14(15)16)13(22)17-12-6-9(18-19-12)11-3-2-4-23-11/h5-6,11,14H,2-4,7H2,1H3,(H2,17,18,19,22)/t11-/m1/s1
InChIKeyPXVDSRDQAYSKGL-LLVKDONJSA-N
XLogP1.99
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxymethyl)-1-methyl-N-[5-[(2R)-oxolan-2-yl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide?
The IUPAC name of 3-(difluoromethoxymethyl)-1-methyl-N-[5-[(2R)-oxolan-2-yl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide (CID 164879752) is 3-(difluoromethoxymethyl)-1-methyl-N-[5-[(2R)-oxolan-2-yl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(difluoromethoxymethyl)-1-methyl-N-[5-[(2R)-oxolan-2-yl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(difluoromethoxymethyl)-1-methyl-N-[5-[(2R)-oxolan-2-yl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide is Cn1nc(COC(F)F)cc1C(=O)Nc1cc([C@H]2CCCO2)[nH]n1.
What is the InChIKey of 3-(difluoromethoxymethyl)-1-methyl-N-[5-[(2R)-oxolan-2-yl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide?
The InChIKey is PXVDSRDQAYSKGL-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17F2N5O3/c1-21-10(5-8(20-21)7-24-14(15)16)13(22)17-12-6-9(18-19-12)11-3-2-4-23-11/h5-6,11,14H,2-4,7H2,1H3,(H2,17,18,19,22)/t11-/m1/s1.
What are the key properties of 3-(difluoromethoxymethyl)-1-methyl-N-[5-[(2R)-oxolan-2-yl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide?
3-(difluoromethoxymethyl)-1-methyl-N-[5-[(2R)-oxolan-2-yl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide has a molecular weight of 341.32 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxymethyl)-1-methyl-N-[5-[(2R)-oxolan-2-yl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 164879752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).