5-chloro-N-[[(2R,4R)-2-(3,3-dimethylbutylamino)-5-bicyclo[2.1.0]pentanyl]methyl]-N-ethyl-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide

C23H34ClN5O2 — CID 175625666

IUPAC5-chloro-N-[[(2R,4R)-2-(3,3-dimethylbutylamino)-5-bicyclo[2.1.0]pentanyl]methyl]-N-ethyl-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide
SMILESCCN(CC1C2[C@@H]1C[C@H]2NCCC(C)(C)C)C(=O)c1c(-c2cc(C)on2)nn(C)c1Cl
InChIInChI=1S/C23H34ClN5O2/c1-7-29(12-15-14-11-16(18(14)15)25-9-8-23(3,4)5)22(30)19-20(26-28(6)21(19)24)17-10-13(2)31-27-17/h10,14-16,18,25H,7-9,11-12H2,1-6H3/t14-,15?,16-,18?/m1/s1
InChIKeyNQCYBMJEPISEID-JBCIKUTRSA-N
MW448.01 g/mol
LogP4.16
Rot. Bonds8

About 5-chloro-N-[[(2R,4R)-2-(3,3-dimethylbutylamino)-5-bicyclo[2.1.0]pentanyl]methyl]-N-ethyl-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide

5-chloro-N-[[(2R,4R)-2-(3,3-dimethylbutylamino)-5-bicyclo[2.1.0]pentanyl]methyl]-N-ethyl-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide (PubChem CID 175625666) has the molecular formula C23H34ClN5O2 and a molecular weight of 448.01 g/mol. Its IUPAC name is 5-chloro-N-[[(2R,4R)-2-(3,3-dimethylbutylamino)-5-bicyclo[2.1.0]pentanyl]methyl]-N-ethyl-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[(2R,4R)-2-(3,3-dimethylbutylamino)-5-bicyclo[2.1.0]pentanyl]methyl]-N-ethyl-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide
PubChem CID175625666
Molecular FormulaC23H34ClN5O2
Molecular Weight448.01 g/mol
Exact Mass447.24
IUPAC Name5-chloro-N-[[(2R,4R)-2-(3,3-dimethylbutylamino)-5-bicyclo[2.1.0]pentanyl]methyl]-N-ethyl-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide
SMILESCCN(CC1C2[C@@H]1C[C@H]2NCCC(C)(C)C)C(=O)c1c(-c2cc(C)on2)nn(C)c1Cl
InChIInChI=1S/C23H34ClN5O2/c1-7-29(12-15-14-11-16(18(14)15)25-9-8-23(3,4)5)22(30)19-20(26-28(6)21(19)24)17-10-13(2)31-27-17/h10,14-16,18,25H,7-9,11-12H2,1-6H3/t14-,15?,16-,18?/m1/s1
InChIKeyNQCYBMJEPISEID-JBCIKUTRSA-N
XLogP4.16
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.01
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-[[(2R,4R)-2-(3,3-dimethylbutylamino)-5-bicyclo[2.1.0]pentanyl]methyl]-N-ethyl-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[(2R,4R)-2-(3,3-dimethylbutylamino)-5-bicyclo[2.1.0]pentanyl]methyl]-N-ethyl-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-[[(2R,4R)-2-(3,3-dimethylbutylamino)-5-bicyclo[2.1.0]pentanyl]methyl]-N-ethyl-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide (CID 175625666) is 5-chloro-N-[[(2R,4R)-2-(3,3-dimethylbutylamino)-5-bicyclo[2.1.0]pentanyl]methyl]-N-ethyl-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[[(2R,4R)-2-(3,3-dimethylbutylamino)-5-bicyclo[2.1.0]pentanyl]methyl]-N-ethyl-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-[[(2R,4R)-2-(3,3-dimethylbutylamino)-5-bicyclo[2.1.0]pentanyl]methyl]-N-ethyl-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide is CCN(CC1C2[C@@H]1C[C@H]2NCCC(C)(C)C)C(=O)c1c(-c2cc(C)on2)nn(C)c1Cl.
What is the InChIKey of 5-chloro-N-[[(2R,4R)-2-(3,3-dimethylbutylamino)-5-bicyclo[2.1.0]pentanyl]methyl]-N-ethyl-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide?
The InChIKey is NQCYBMJEPISEID-JBCIKUTRSA-N. The full InChI is InChI=1S/C23H34ClN5O2/c1-7-29(12-15-14-11-16(18(14)15)25-9-8-23(3,4)5)22(30)19-20(26-28(6)21(19)24)17-10-13(2)31-27-17/h10,14-16,18,25H,7-9,11-12H2,1-6H3/t14-,15?,16-,18?/m1/s1.
What are the key properties of 5-chloro-N-[[(2R,4R)-2-(3,3-dimethylbutylamino)-5-bicyclo[2.1.0]pentanyl]methyl]-N-ethyl-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide?
5-chloro-N-[[(2R,4R)-2-(3,3-dimethylbutylamino)-5-bicyclo[2.1.0]pentanyl]methyl]-N-ethyl-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide has a molecular weight of 448.01 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[(2R,4R)-2-(3,3-dimethylbutylamino)-5-bicyclo[2.1.0]pentanyl]methyl]-N-ethyl-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 175625666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).