(2R,3R)-2-(2-methylpyrazol-3-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]oxane-3-carboxamide

C16H23N5O2 — CID 128984406

IUPAC(2R,3R)-2-(2-methylpyrazol-3-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]oxane-3-carboxamide
SMILESCc1cnn(CCNC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)c1
InChIInChI=1S/C16H23N5O2/c1-12-10-19-21(11-12)8-7-17-16(22)13-4-3-9-23-15(13)14-5-6-18-20(14)2/h5-6,10-11,13,15H,3-4,7-9H2,1-2H3,(H,17,22)/t13-,15-/m1/s1
InChIKeyRJRZKRVFQDTOBE-UKRRQHHQSA-N
MW317.39 g/mol
LogP1.21
Rot. Bonds5

About (2R,3R)-2-(2-methylpyrazol-3-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]oxane-3-carboxamide

(2R,3R)-2-(2-methylpyrazol-3-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]oxane-3-carboxamide (PubChem CID 128984406) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (2R,3R)-2-(2-methylpyrazol-3-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]oxane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(2-methylpyrazol-3-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]oxane-3-carboxamide
PubChem CID128984406
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name(2R,3R)-2-(2-methylpyrazol-3-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]oxane-3-carboxamide
SMILESCc1cnn(CCNC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)c1
InChIInChI=1S/C16H23N5O2/c1-12-10-19-21(11-12)8-7-17-16(22)13-4-3-9-23-15(13)14-5-6-18-20(14)2/h5-6,10-11,13,15H,3-4,7-9H2,1-2H3,(H,17,22)/t13-,15-/m1/s1
InChIKeyRJRZKRVFQDTOBE-UKRRQHHQSA-N
XLogP1.21
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(2-methylpyrazol-3-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]oxane-3-carboxamide?
The IUPAC name of (2R,3R)-2-(2-methylpyrazol-3-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]oxane-3-carboxamide (CID 128984406) is (2R,3R)-2-(2-methylpyrazol-3-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]oxane-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-(2-methylpyrazol-3-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]oxane-3-carboxamide?
The canonical SMILES for (2R,3R)-2-(2-methylpyrazol-3-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]oxane-3-carboxamide is Cc1cnn(CCNC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)c1.
What is the InChIKey of (2R,3R)-2-(2-methylpyrazol-3-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]oxane-3-carboxamide?
The InChIKey is RJRZKRVFQDTOBE-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-12-10-19-21(11-12)8-7-17-16(22)13-4-3-9-23-15(13)14-5-6-18-20(14)2/h5-6,10-11,13,15H,3-4,7-9H2,1-2H3,(H,17,22)/t13-,15-/m1/s1.
What are the key properties of (2R,3R)-2-(2-methylpyrazol-3-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]oxane-3-carboxamide?
(2R,3R)-2-(2-methylpyrazol-3-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]oxane-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2-methylpyrazol-3-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]oxane-3-carboxamide is sourced from PubChem (CID 128984406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).