5-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide

C16H23N5O2 — CID 128973427

IUPAC5-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)cnn1C(C)C
InChIInChI=1S/C16H23N5O2/c1-10(2)21-11(3)12(9-18-21)16(22)19-13-5-8-23-14(13)15-17-6-7-20(15)4/h6-7,9-10,13-14H,5,8H2,1-4H3,(H,19,22)/t13-,14-/m0/s1
InChIKeyCDIVJSXYMJSLME-KBPBESRZSA-N
MW317.39 g/mol
LogP1.77
Rot. Bonds4

About 5-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide

5-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 128973427) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 5-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID128973427
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name5-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)cnn1C(C)C
InChIInChI=1S/C16H23N5O2/c1-10(2)21-11(3)12(9-18-21)16(22)19-13-5-8-23-14(13)15-17-6-7-20(15)4/h6-7,9-10,13-14H,5,8H2,1-4H3,(H,19,22)/t13-,14-/m0/s1
InChIKeyCDIVJSXYMJSLME-KBPBESRZSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dimethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-4-carboxamide
CID 128986079
4-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-2-carboxamide
CID 154738095
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,3-benzodioxole-4-carboxamide
CID 128974107
1-cyclopropyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrrole-2-carboxamide
CID 128968417
1-[(2R)-4-(dimethylamino)butan-2-yl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea
CID 129475001
(2S,5R)-5-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]oxolane-2-carboxamide
CID 129333968
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cycloheptene-1-carboxamide
CID 128989683
1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]urea
CID 129474958
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 128986100
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 128986161
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]oxane-2-carboxamide
CID 128970459
3-fluoro-4-methoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]benzamide
CID 128972203

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide (CID 128973427) is 5-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide is Cc1c(C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)cnn1C(C)C.
What is the InChIKey of 5-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is CDIVJSXYMJSLME-KBPBESRZSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-10(2)21-11(3)12(9-18-21)16(22)19-13-5-8-23-14(13)15-17-6-7-20(15)4/h6-7,9-10,13-14H,5,8H2,1-4H3,(H,19,22)/t13-,14-/m0/s1.
What are the key properties of 5-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide?
5-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 128973427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).