1-ethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]pyrazole-4-carboxamide

C16H23N5O2 — CID 128974767

IUPAC1-ethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)cn1
InChIInChI=1S/C16H23N5O2/c1-5-21-9-12(8-17-21)16(22)18-13-6-7-23-15(13)14-10(2)19-20(4)11(14)3/h8-9,13,15H,5-7H2,1-4H3,(H,18,22)/t13-,15-/m0/s1
InChIKeyKCXQJOKRTLTTCG-ZFWWWQNUSA-N
MW317.39 g/mol
LogP1.51
Rot. Bonds4

About 1-ethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]pyrazole-4-carboxamide

1-ethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]pyrazole-4-carboxamide (PubChem CID 128974767) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-ethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]pyrazole-4-carboxamide
PubChem CID128974767
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name1-ethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)cn1
InChIInChI=1S/C16H23N5O2/c1-5-21-9-12(8-17-21)16(22)18-13-6-7-23-15(13)14-10(2)19-20(4)11(14)3/h8-9,13,15H,5-7H2,1-4H3,(H,18,22)/t13-,15-/m0/s1
InChIKeyKCXQJOKRTLTTCG-ZFWWWQNUSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]pyrazole-4-carboxamide (CID 128974767) is 1-ethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]pyrazole-4-carboxamide is CCn1cc(C(=O)N[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)cn1.
What is the InChIKey of 1-ethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]pyrazole-4-carboxamide?
The InChIKey is KCXQJOKRTLTTCG-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-5-21-9-12(8-17-21)16(22)18-13-6-7-23-15(13)14-10(2)19-20(4)11(14)3/h8-9,13,15H,5-7H2,1-4H3,(H,18,22)/t13-,15-/m0/s1.
What are the key properties of 1-ethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]pyrazole-4-carboxamide?
1-ethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]pyrazole-4-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 128974767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).