trans-(1R,2R)-2-(4-chlorophenyl)-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-carboxamide

C20H24ClN3O2 — CID 126800771

IUPACtrans-(1R,2R)-2-(4-chlorophenyl)-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-carboxamide
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN3O2/c1-11-18(12(2)24(3)23-11)19-17(8-9-26-19)22-20(25)16-10-15(16)13-4-6-14(21)7-5-13/h4-7,15-17,19H,8-10H2,1-3H3,(H,22,25)/t15-,16+,17-,19-/m0/s1
InChIKeyJPISFLJWTVZJSZ-ZMMAXQRCSA-N
MW373.88 g/mol
LogP3.44
Rot. Bonds4

About trans-(1R,2R)-2-(4-chlorophenyl)-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-(4-chlorophenyl)-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-carboxamide (PubChem CID 126800771) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-chlorophenyl)-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-chlorophenyl)-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-carboxamide
PubChem CID126800771
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Nametrans-(1R,2R)-2-(4-chlorophenyl)-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-carboxamide
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN3O2/c1-11-18(12(2)24(3)23-11)19-17(8-9-26-19)22-20(25)16-10-15(16)13-4-6-14(21)7-5-13/h4-7,15-17,19H,8-10H2,1-3H3,(H,22,25)/t15-,16+,17-,19-/m0/s1
InChIKeyJPISFLJWTVZJSZ-ZMMAXQRCSA-N
XLogP3.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-chlorophenyl)-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(4-chlorophenyl)-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-carboxamide (CID 126800771) is trans-(1R,2R)-2-(4-chlorophenyl)-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(4-chlorophenyl)-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(4-chlorophenyl)-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-carboxamide is Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of trans-(1R,2R)-2-(4-chlorophenyl)-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-carboxamide?
The InChIKey is JPISFLJWTVZJSZ-ZMMAXQRCSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-11-18(12(2)24(3)23-11)19-17(8-9-26-19)22-20(25)16-10-15(16)13-4-6-14(21)7-5-13/h4-7,15-17,19H,8-10H2,1-3H3,(H,22,25)/t15-,16+,17-,19-/m0/s1.
What are the key properties of trans-(1R,2R)-2-(4-chlorophenyl)-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(4-chlorophenyl)-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-carboxamide has a molecular weight of 373.88 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(4-chlorophenyl)-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 126800771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).