trans-(1R,2R)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C18H25N5O2 — CID 138017013

IUPACtrans-(1R,2R)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1
InChIInChI=1S/C18H25N5O2/c1-3-23-7-6-19-17(23)16-15(5-4-8-25-16)21-18(24)14-9-13(14)12-10-20-22(2)11-12/h6-7,10-11,13-16H,3-5,8-9H2,1-2H3,(H,21,24)/t13-,14+,15-,16-/m0/s1
InChIKeyKNZBEBONIRLQJP-FZKCQIBNSA-N
MW343.43 g/mol
LogP1.78
Rot. Bonds5

About trans-(1R,2R)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 138017013) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is trans-(1R,2R)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID138017013
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Nametrans-(1R,2R)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1
InChIInChI=1S/C18H25N5O2/c1-3-23-7-6-19-17(23)16-15(5-4-8-25-16)21-18(24)14-9-13(14)12-10-20-22(2)11-12/h6-7,10-11,13-16H,3-5,8-9H2,1-2H3,(H,21,24)/t13-,14+,15-,16-/m0/s1
InChIKeyKNZBEBONIRLQJP-FZKCQIBNSA-N
XLogP1.78
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

cis-(1S,3R)-3-[[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066905
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 136581065
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-1-methylpyrazole-4-sulfonamide
CID 128975406
trans-(1R,2R)-2-(1-methylpyrazol-4-yl)-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopropane-1-carboxamide
CID 126796439
5-(dimethylamino)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrazine-2-carboxamide
CID 127967879
trans-(1R,2R)-2-cyclopropyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-carboxamide
CID 129400376
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]oxan-3-amine
CID 129400618
4-ethyl-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyridine-2-carboxamide
CID 136588223
N-(2,6-dimethylcyclohexyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 71935713
2-(diethylamino)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]acetamide
CID 128966088
(2R,3R)-2-(1-ethylimidazol-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]oxolane-3-carboxamide
CID 128986874
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]pyrazine-2-carboxamide
CID 128992934

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 138017013) is trans-(1R,2R)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1.
What is the InChIKey of trans-(1R,2R)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is KNZBEBONIRLQJP-FZKCQIBNSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-3-23-7-6-19-17(23)16-15(5-4-8-25-16)21-18(24)14-9-13(14)12-10-20-22(2)11-12/h6-7,10-11,13-16H,3-5,8-9H2,1-2H3,(H,21,24)/t13-,14+,15-,16-/m0/s1.
What are the key properties of trans-(1R,2R)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 138017013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).