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

C17H25N5O2 — CID 129346409

IUPAC1-methyl-N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@@H]2CCO[C@H](c3cncn3C)C2)n(C)n1
InChIInChI=1S/C17H25N5O2/c1-11(2)13-8-14(22(4)20-13)17(23)19-12-5-6-24-16(7-12)15-9-18-10-21(15)3/h8-12,16H,5-7H2,1-4H3,(H,19,23)/t12-,16+/m1/s1
InChIKeyFXEAOUQKBKGMTO-WBMJQRKESA-N
MW331.42 g/mol
LogP1.93
Rot. Bonds4

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

1-methyl-N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 129346409) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-methyl-N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID129346409
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name1-methyl-N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@@H]2CCO[C@H](c3cncn3C)C2)n(C)n1
InChIInChI=1S/C17H25N5O2/c1-11(2)13-8-14(22(4)20-13)17(23)19-12-5-6-24-16(7-12)15-9-18-10-21(15)3/h8-12,16H,5-7H2,1-4H3,(H,19,23)/t12-,16+/m1/s1
InChIKeyFXEAOUQKBKGMTO-WBMJQRKESA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 129476648
3-[(2S)-butan-2-yl]-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1,2-oxazole-5-carboxamide
CID 129329403
4-methyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-3-carboxamide
CID 128966423
5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-2-carboxamide
CID 128992160
3-ethyl-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-4-carboxamide
CID 129339443
4-(dimethylamino)-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-2-carboxamide
CID 129475939
N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2-propyl-1,3-thiazole-5-carboxamide
CID 129328904
2-fluoro-4-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzamide
CID 129492339
2-(dimethylamino)-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pentanamide
CID 154739480
(2R)-2-methoxy-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-2-phenylacetamide
CID 128994960
N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]quinoxaline-5-carboxamide
CID 129340184
2-ethoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-3-carboxamide
CID 129337436

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-propan-2-ylpyrazole-5-carboxamide (CID 129346409) is 1-methyl-N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-propan-2-ylpyrazole-5-carboxamide is CC(C)c1cc(C(=O)N[C@@H]2CCO[C@H](c3cncn3C)C2)n(C)n1.
What is the InChIKey of 1-methyl-N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is FXEAOUQKBKGMTO-WBMJQRKESA-N. The full InChI is InChI=1S/C17H25N5O2/c1-11(2)13-8-14(22(4)20-13)17(23)19-12-5-6-24-16(7-12)15-9-18-10-21(15)3/h8-12,16H,5-7H2,1-4H3,(H,19,23)/t12-,16+/m1/s1.
What are the key properties of 1-methyl-N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-propan-2-ylpyrazole-5-carboxamide?
1-methyl-N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 129346409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).