(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]oxolane-3-carboxamide

C20H24N6O3 — CID 128966456

IUPAC(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]oxolane-3-carboxamide
SMILESCOCCn1cc([C@H]2OCC[C@@H]2C(=O)Nc2ccc(Cn3cncn3)cc2)cn1
InChIInChI=1S/C20H24N6O3/c1-28-9-7-25-12-16(10-22-25)19-18(6-8-29-19)20(27)24-17-4-2-15(3-5-17)11-26-14-21-13-23-26/h2-5,10,12-14,18-19H,6-9,11H2,1H3,(H,24,27)/t18-,19+/m0/s1
InChIKeyCSWKTHUYNBJRIP-RBUKOAKNSA-N
MW396.45 g/mol
LogP1.89
Rot. Bonds8

About (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]oxolane-3-carboxamide

(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]oxolane-3-carboxamide (PubChem CID 128966456) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]oxolane-3-carboxamide
PubChem CID128966456
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC Name(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]oxolane-3-carboxamide
SMILESCOCCn1cc([C@H]2OCC[C@@H]2C(=O)Nc2ccc(Cn3cncn3)cc2)cn1
InChIInChI=1S/C20H24N6O3/c1-28-9-7-25-12-16(10-22-25)19-18(6-8-29-19)20(27)24-17-4-2-15(3-5-17)11-26-14-21-13-23-26/h2-5,10,12-14,18-19H,6-9,11H2,1H3,(H,24,27)/t18-,19+/m0/s1
InChIKeyCSWKTHUYNBJRIP-RBUKOAKNSA-N
XLogP1.89
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]oxolane-3-carboxamide (CID 128966456) is (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]oxolane-3-carboxamide is COCCn1cc([C@H]2OCC[C@@H]2C(=O)Nc2ccc(Cn3cncn3)cc2)cn1.
What is the InChIKey of (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]oxolane-3-carboxamide?
The InChIKey is CSWKTHUYNBJRIP-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-28-9-7-25-12-16(10-22-25)19-18(6-8-29-19)20(27)24-17-4-2-15(3-5-17)11-26-14-21-13-23-26/h2-5,10,12-14,18-19H,6-9,11H2,1H3,(H,24,27)/t18-,19+/m0/s1.
What are the key properties of (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]oxolane-3-carboxamide?
(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]oxolane-3-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 128966456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).