(2R,3R)-2-(2-methylpyrazol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxane-3-carboxamide

C17H25N5O2 — CID 128985001

IUPAC(2R,3R)-2-(2-methylpyrazol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxane-3-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C
InChIInChI=1S/C17H25N5O2/c1-11-14(12(2)21(3)20-11)10-18-17(23)13-6-5-9-24-16(13)15-7-8-19-22(15)4/h7-8,13,16H,5-6,9-10H2,1-4H3,(H,18,23)/t13-,16-/m1/s1
InChIKeyUBACZSLCZDLJPO-CZUORRHYSA-N
MW331.42 g/mol
LogP1.55
Rot. Bonds4

About (2R,3R)-2-(2-methylpyrazol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxane-3-carboxamide

(2R,3R)-2-(2-methylpyrazol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxane-3-carboxamide (PubChem CID 128985001) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2R,3R)-2-(2-methylpyrazol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(2-methylpyrazol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxane-3-carboxamide
PubChem CID128985001
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name(2R,3R)-2-(2-methylpyrazol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxane-3-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C
InChIInChI=1S/C17H25N5O2/c1-11-14(12(2)21(3)20-11)10-18-17(23)13-6-5-9-24-16(13)15-7-8-19-22(15)4/h7-8,13,16H,5-6,9-10H2,1-4H3,(H,18,23)/t13-,16-/m1/s1
InChIKeyUBACZSLCZDLJPO-CZUORRHYSA-N
XLogP1.55
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.55
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-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxane-3-carboxamide?
The IUPAC name of (2R,3R)-2-(2-methylpyrazol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxane-3-carboxamide (CID 128985001) is (2R,3R)-2-(2-methylpyrazol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxane-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-(2-methylpyrazol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxane-3-carboxamide?
The canonical SMILES for (2R,3R)-2-(2-methylpyrazol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxane-3-carboxamide is Cc1nn(C)c(C)c1CNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C.
What is the InChIKey of (2R,3R)-2-(2-methylpyrazol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxane-3-carboxamide?
The InChIKey is UBACZSLCZDLJPO-CZUORRHYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-11-14(12(2)21(3)20-11)10-18-17(23)13-6-5-9-24-16(13)15-7-8-19-22(15)4/h7-8,13,16H,5-6,9-10H2,1-4H3,(H,18,23)/t13-,16-/m1/s1.
What are the key properties of (2R,3R)-2-(2-methylpyrazol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxane-3-carboxamide?
(2R,3R)-2-(2-methylpyrazol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxane-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.55, 4 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-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxane-3-carboxamide is sourced from PubChem (CID 128985001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).