N-[[(3R,4S)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide

C19H23F3N4O4 — CID 75367863

IUPACN-[[(3R,4S)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2(COc3ccc(C(F)(F)F)cn3)C[C@@H](O)[C@@H](O)C2)n(C)n1
InChIInChI=1S/C19H23F3N4O4/c1-11-5-13(26(2)25-11)17(29)24-9-18(6-14(27)15(28)7-18)10-30-16-4-3-12(8-23-16)19(20,21)22/h3-5,8,14-15,27-28H,6-7,9-10H2,1-2H3,(H,24,29)/t14-,15+,18?
InChIKeyQUVGMKLQSLXLEK-MVVMVCHASA-N
MW428.41 g/mol
LogP1.45
Rot. Bonds6

About N-[[(3R,4S)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide

N-[[(3R,4S)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 75367863) has the molecular formula C19H23F3N4O4 and a molecular weight of 428.41 g/mol. Its IUPAC name is N-[[(3R,4S)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(3R,4S)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID75367863
Molecular FormulaC19H23F3N4O4
Molecular Weight428.41 g/mol
Exact Mass428.17
IUPAC NameN-[[(3R,4S)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2(COc3ccc(C(F)(F)F)cn3)C[C@@H](O)[C@@H](O)C2)n(C)n1
InChIInChI=1S/C19H23F3N4O4/c1-11-5-13(26(2)25-11)17(29)24-9-18(6-14(27)15(28)7-18)10-30-16-4-3-12(8-23-16)19(20,21)22/h3-5,8,14-15,27-28H,6-7,9-10H2,1-2H3,(H,24,29)/t14-,15+,18?
InChIKeyQUVGMKLQSLXLEK-MVVMVCHASA-N
XLogP1.45
TPSA109.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R,4S)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[[(3R,4S)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide (CID 75367863) is N-[[(3R,4S)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[(3R,4S)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[[(3R,4S)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NCC2(COc3ccc(C(F)(F)F)cn3)C[C@@H](O)[C@@H](O)C2)n(C)n1.
What is the InChIKey of N-[[(3R,4S)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is QUVGMKLQSLXLEK-MVVMVCHASA-N. The full InChI is InChI=1S/C19H23F3N4O4/c1-11-5-13(26(2)25-11)17(29)24-9-18(6-14(27)15(28)7-18)10-30-16-4-3-12(8-23-16)19(20,21)22/h3-5,8,14-15,27-28H,6-7,9-10H2,1-2H3,(H,24,29)/t14-,15+,18?.
What are the key properties of N-[[(3R,4S)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[[(3R,4S)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 428.41 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,4S)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 75367863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).