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

C14H23N3O3 — CID 91792914

IUPACN-[(3S,4R)-3-methoxyoxan-4-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCO[C@@H]1COCC[C@H]1NC(=O)c1cc(C(C)C)nn1C
InChIInChI=1S/C14H23N3O3/c1-9(2)11-7-12(17(3)16-11)14(18)15-10-5-6-20-8-13(10)19-4/h7,9-10,13H,5-6,8H2,1-4H3,(H,15,18)/t10-,13-/m1/s1
InChIKeyDVYIWQMDQVBHNR-ZWNOBZJWSA-N
MW281.36 g/mol
LogP1.08
Rot. Bonds4

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

N-[(3S,4R)-3-methoxyoxan-4-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 91792914) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(3S,4R)-3-methoxyoxan-4-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-methoxyoxan-4-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID91792914
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-[(3S,4R)-3-methoxyoxan-4-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCO[C@@H]1COCC[C@H]1NC(=O)c1cc(C(C)C)nn1C
InChIInChI=1S/C14H23N3O3/c1-9(2)11-7-12(17(3)16-11)14(18)15-10-5-6-20-8-13(10)19-4/h7,9-10,13H,5-6,8H2,1-4H3,(H,15,18)/t10-,13-/m1/s1
InChIKeyDVYIWQMDQVBHNR-ZWNOBZJWSA-N
XLogP1.08
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4R)-3-methoxyoxan-4-yl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 91780552
N-[(1R,5R,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 133268868
1-methyl-N-[(1R,2R)-2-phenylmethoxycyclohexyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 70782413
N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 133110450
methyl 1-methyl-3-propan-2-ylpyrazole-5-carboxylate
CID 25248219
2-chloro-5-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-propan-2-yloxybenzamide
CID 91789115
6-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-3-carboxamide
CID 91793620
3-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-4-carboxamide
CID 91781029
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 91763682
2,6-difluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methylbenzamide
CID 91788905
N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 91783225
1-methyl-N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-propan-2-ylpyrazole-5-carboxamide
CID 129346409

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-methoxyoxan-4-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[(3S,4R)-3-methoxyoxan-4-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (CID 91792914) is N-[(3S,4R)-3-methoxyoxan-4-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-methoxyoxan-4-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-methoxyoxan-4-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is CO[C@@H]1COCC[C@H]1NC(=O)c1cc(C(C)C)nn1C.
What is the InChIKey of N-[(3S,4R)-3-methoxyoxan-4-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is DVYIWQMDQVBHNR-ZWNOBZJWSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-9(2)11-7-12(17(3)16-11)14(18)15-10-5-6-20-8-13(10)19-4/h7,9-10,13H,5-6,8H2,1-4H3,(H,15,18)/t10-,13-/m1/s1.
What are the key properties of N-[(3S,4R)-3-methoxyoxan-4-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
N-[(3S,4R)-3-methoxyoxan-4-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-methoxyoxan-4-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 91792914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).