N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide

C14H23N3O5 — CID 166350680

IUPACN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide
SMILESCOCCn1cc(C(=O)N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(C)n1
InChIInChI=1S/C14H23N3O5/c1-8-10(6-17(16-8)3-4-22-2)14(21)15-11-5-9(7-18)12(19)13(11)20/h6,9,11-13,18-20H,3-5,7H2,1-2H3,(H,15,21)/t9-,11-,12-,13+/m1/s1
InChIKeyZRXQJDZIKXOBKW-JHEVNIALSA-N
MW313.35 g/mol
LogP-1.33
Rot. Bonds6

About N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide

N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide (PubChem CID 166350680) has the molecular formula C14H23N3O5 and a molecular weight of 313.35 g/mol. Its IUPAC name is N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide
PubChem CID166350680
Molecular FormulaC14H23N3O5
Molecular Weight313.35 g/mol
Exact Mass313.16
IUPAC NameN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide
SMILESCOCCn1cc(C(=O)N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(C)n1
InChIInChI=1S/C14H23N3O5/c1-8-10(6-17(16-8)3-4-22-2)14(21)15-11-5-9(7-18)12(19)13(11)20/h6,9,11-13,18-20H,3-5,7H2,1-2H3,(H,15,21)/t9-,11-,12-,13+/m1/s1
InChIKeyZRXQJDZIKXOBKW-JHEVNIALSA-N
XLogP-1.33
TPSA116.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 5-1.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide (CID 166350680) is N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide is COCCn1cc(C(=O)N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(C)n1.
What is the InChIKey of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide?
The InChIKey is ZRXQJDZIKXOBKW-JHEVNIALSA-N. The full InChI is InChI=1S/C14H23N3O5/c1-8-10(6-17(16-8)3-4-22-2)14(21)15-11-5-9(7-18)12(19)13(11)20/h6,9,11-13,18-20H,3-5,7H2,1-2H3,(H,15,21)/t9-,11-,12-,13+/m1/s1.
What are the key properties of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide?
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide has a molecular weight of 313.35 g/mol, XLogP of -1.33, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 166350680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).