3-ethyl-1-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]pyrazole-4-carboxamide

C16H23N5O2 — CID 129000828

IUPAC3-ethyl-1-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]pyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)N[C@H]1CCCO[C@@H]1c1cnn(C)c1
InChIInChI=1S/C16H23N5O2/c1-4-13-12(10-21(3)19-13)16(22)18-14-6-5-7-23-15(14)11-8-17-20(2)9-11/h8-10,14-15H,4-7H2,1-3H3,(H,18,22)/t14-,15+/m0/s1
InChIKeyUHXYGWYTNHDREJ-LSDHHAIUSA-N
MW317.39 g/mol
LogP1.37
Rot. Bonds4

About 3-ethyl-1-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]pyrazole-4-carboxamide

3-ethyl-1-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]pyrazole-4-carboxamide (PubChem CID 129000828) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]pyrazole-4-carboxamide
PubChem CID129000828
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name3-ethyl-1-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]pyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)N[C@H]1CCCO[C@@H]1c1cnn(C)c1
InChIInChI=1S/C16H23N5O2/c1-4-13-12(10-21(3)19-13)16(22)18-14-6-5-7-23-15(14)11-8-17-20(2)9-11/h8-10,14-15H,4-7H2,1-3H3,(H,18,22)/t14-,15+/m0/s1
InChIKeyUHXYGWYTNHDREJ-LSDHHAIUSA-N
XLogP1.37
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 3-ethyl-1-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]pyrazole-4-carboxamide (CID 129000828) is 3-ethyl-1-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-1-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 3-ethyl-1-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]pyrazole-4-carboxamide is CCc1nn(C)cc1C(=O)N[C@H]1CCCO[C@@H]1c1cnn(C)c1.
What is the InChIKey of 3-ethyl-1-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]pyrazole-4-carboxamide?
The InChIKey is UHXYGWYTNHDREJ-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-4-13-12(10-21(3)19-13)16(22)18-14-6-5-7-23-15(14)11-8-17-20(2)9-11/h8-10,14-15H,4-7H2,1-3H3,(H,18,22)/t14-,15+/m0/s1.
What are the key properties of 3-ethyl-1-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]pyrazole-4-carboxamide?
3-ethyl-1-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]pyrazole-4-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 129000828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).